2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide

C93H134N26O25S15 — CID 163933081

IUPAC2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide
SMILESCC(C)C(=O)/N=c1\sc(S(N)(=O)=O)nn1C.CC(C)C(=O)Cc1nnc(S(N)(=O)=O)s1.CC(C)c1cc(S(N)(=O)=O)ccn1.CC(C)c1ccc(C(=O)Cc2nnc(S(N)(=O)=O)s2)cn1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc(S(N)(=O)=O)cn1.CC(C)c1ccc(S(N)(=O)=O)nc1.CC(C)c1ccc2sc(S(N)(=O)=O)nc2c1.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ccnc(S(N)(=O)=O)c1.CC(C)c1ncc(S(N)(=O)=O)cn1
InChIInChI=1S/C12H14N4O3S2.C10H12N2O2S2.2C9H13NO2S.4C8H12N2O2S.C7H12N4O3S2.C7H11N3O3S2.C7H11N3O2S/c1-7(2)9-4-3-8(6-14-9)10(17)5-11-15-16-12(20-11)21(13,18)19;1-6(2)7-3-4-9-8(5-7)12-10(15-9)16(11,13)14;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-4-3-5-9(6-8)13(10,11)12;1-6(2)8-5-7(3-4-10-8)13(9,11)12;1-6(2)8-4-3-7(5-10-8)13(9,11)12;1-6(2)7-3-4-10-8(5-7)13(9,11)12;1-6(2)7-3-4-8(10-5-7)13(9,11)12;1-4(2)5(12)9-6-11(3)10-7(15-6)16(8,13)14;1-4(2)5(11)3-6-9-10-7(14-6)15(8,12)13;1-5(2)7-9-3-6(4-10-7)13(8,11)12/h3-4,6-7H,5H2,1-2H3,(H2,13,18,19);3-6H,1-2H3,(H2,11,13,14);2*3-7H,1-2H3,(H2,10,11,12);4*3-6H,1-2H3,(H2,9,11,12);4H,1-3H3,(H2,8,13,14);4H,3H2,1-2H3,(H2,8,12,13);3-5H,1-2H3,(H2,8,11,12)/b;;;;;;;;9-6-;;
InChIKeyRKJHMDYCEZCTEO-BTMMURBGSA-N
MW2497.26 g/mol
LogP8.93
Rot. Bonds27

About 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide

2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide (PubChem CID 163933081) has the molecular formula C93H134N26O25S15 and a molecular weight of 2497.26 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide
PubChem CID163933081
Molecular FormulaC93H134N26O25S15
Molecular Weight2497.26 g/mol
Exact Mass2494.58
IUPAC Name2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide
SMILESCC(C)C(=O)/N=c1\sc(S(N)(=O)=O)nn1C.CC(C)C(=O)Cc1nnc(S(N)(=O)=O)s1.CC(C)c1cc(S(N)(=O)=O)ccn1.CC(C)c1ccc(C(=O)Cc2nnc(S(N)(=O)=O)s2)cn1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc(S(N)(=O)=O)cn1.CC(C)c1ccc(S(N)(=O)=O)nc1.CC(C)c1ccc2sc(S(N)(=O)=O)nc2c1.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ccnc(S(N)(=O)=O)c1.CC(C)c1ncc(S(N)(=O)=O)cn1
InChIInChI=1S/C12H14N4O3S2.C10H12N2O2S2.2C9H13NO2S.4C8H12N2O2S.C7H12N4O3S2.C7H11N3O3S2.C7H11N3O2S/c1-7(2)9-4-3-8(6-14-9)10(17)5-11-15-16-12(20-11)21(13,18)19;1-6(2)7-3-4-9-8(5-7)12-10(15-9)16(11,13)14;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-4-3-5-9(6-8)13(10,11)12;1-6(2)8-5-7(3-4-10-8)13(9,11)12;1-6(2)8-4-3-7(5-10-8)13(9,11)12;1-6(2)7-3-4-10-8(5-7)13(9,11)12;1-6(2)7-3-4-8(10-5-7)13(9,11)12;1-4(2)5(12)9-6-11(3)10-7(15-6)16(8,13)14;1-4(2)5(11)3-6-9-10-7(14-6)15(8,12)13;1-5(2)7-9-3-6(4-10-7)13(8,11)12/h3-4,6-7H,5H2,1-2H3,(H2,13,18,19);3-6H,1-2H3,(H2,11,13,14);2*3-7H,1-2H3,(H2,10,11,12);4*3-6H,1-2H3,(H2,9,11,12);4H,1-3H3,(H2,8,13,14);4H,3H2,1-2H3,(H2,8,12,13);3-5H,1-2H3,(H2,8,11,12)/b;;;;;;;;9-6-;;
InChIKeyRKJHMDYCEZCTEO-BTMMURBGSA-N
XLogP8.93
TPSA897.83 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds27
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002497.26
LogP ≤ 58.93
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Analyze 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-(ethylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-sulfonamide;2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide
CID 158812653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide (CID 163933081) is 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide is CC(C)C(=O)/N=c1\sc(S(N)(=O)=O)nn1C.CC(C)C(=O)Cc1nnc(S(N)(=O)=O)s1.CC(C)c1cc(S(N)(=O)=O)ccn1.CC(C)c1ccc(C(=O)Cc2nnc(S(N)(=O)=O)s2)cn1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc(S(N)(=O)=O)cn1.CC(C)c1ccc(S(N)(=O)=O)nc1.CC(C)c1ccc2sc(S(N)(=O)=O)nc2c1.CC(C)c1cccc(S(N)(=O)=O)c1.CC(C)c1ccnc(S(N)(=O)=O)c1.CC(C)c1ncc(S(N)(=O)=O)cn1.
What is the InChIKey of 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide?
The InChIKey is RKJHMDYCEZCTEO-BTMMURBGSA-N. The full InChI is InChI=1S/C12H14N4O3S2.C10H12N2O2S2.2C9H13NO2S.4C8H12N2O2S.C7H12N4O3S2.C7H11N3O3S2.C7H11N3O2S/c1-7(2)9-4-3-8(6-14-9)10(17)5-11-15-16-12(20-11)21(13,18)19;1-6(2)7-3-4-9-8(5-7)12-10(15-9)16(11,13)14;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-4-3-5-9(6-8)13(10,11)12;1-6(2)8-5-7(3-4-10-8)13(9,11)12;1-6(2)8-4-3-7(5-10-8)13(9,11)12;1-6(2)7-3-4-10-8(5-7)13(9,11)12;1-6(2)7-3-4-8(10-5-7)13(9,11)12;1-4(2)5(12)9-6-11(3)10-7(15-6)16(8,13)14;1-4(2)5(11)3-6-9-10-7(14-6)15(8,12)13;1-5(2)7-9-3-6(4-10-7)13(8,11)12/h3-4,6-7H,5H2,1-2H3,(H2,13,18,19);3-6H,1-2H3,(H2,11,13,14);2*3-7H,1-2H3,(H2,10,11,12);4*3-6H,1-2H3,(H2,9,11,12);4H,1-3H3,(H2,8,13,14);4H,3H2,1-2H3,(H2,8,12,13);3-5H,1-2H3,(H2,8,11,12)/b;;;;;;;;9-6-;;.
What are the key properties of 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide?
2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide has a molecular weight of 2497.26 g/mol, XLogP of 8.93, 27 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)propanamide;5-(3-methyl-2-oxobutyl)-1,3,4-thiadiazole-2-sulfonamide;5-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]-1,3,4-thiadiazole-2-sulfonamide;3-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzenesulfonamide;5-propan-2-yl-1,3-benzothiazole-2-sulfonamide;2-propan-2-ylpyridine-4-sulfonamide;4-propan-2-ylpyridine-2-sulfonamide;5-propan-2-ylpyridine-2-sulfonamide;6-propan-2-ylpyridine-3-sulfonamide;2-propan-2-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 163933081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).