N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide

C19H28N6O2S — CID 42762915

IUPACN-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide
SMILESCCNC(=O)NC(C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1)C(C)CC
InChIInChI=1S/C19H28N6O2S/c1-6-12(3)15(21-18(27)20-7-2)16(26)22-19-24-23-17(28-19)13-8-10-14(11-9-13)25(4)5/h8-12,15H,6-7H2,1-5H3,(H2,20,21,27)(H,22,24,26)
InChIKeySQLJQMUHWBOJIO-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.94
Rot. Bonds8

About N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide

N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide (PubChem CID 42762915) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide
PubChem CID42762915
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC NameN-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide
SMILESCCNC(=O)NC(C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1)C(C)CC
InChIInChI=1S/C19H28N6O2S/c1-6-12(3)15(21-18(27)20-7-2)16(26)22-19-24-23-17(28-19)13-8-10-14(11-9-13)25(4)5/h8-12,15H,6-7H2,1-5H3,(H2,20,21,27)(H,22,24,26)
InChIKeySQLJQMUHWBOJIO-UHFFFAOYSA-N
XLogP2.94
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide
CID 42762893
(2R,3S)-2-acetamido-N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
CID 7230459
N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-[(4-ethoxyphenyl)carbamoylamino]-3-methylpentanamide
CID 3373022
ethyl 4-[[1-[[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoate
CID 3303989
2-[(4-ethylphenyl)carbamoylamino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 4669965
(2S,3R)-3-methyl-2-[(3-methylphenyl)carbamoylamino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 92517038
(2R,3S)-3-methyl-2-[(2-methylphenyl)carbamoylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 7349924
N-[(2R,3S)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 7373852
N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide
CID 7361927
2-ethyl-N-[3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]hexanamide
CID 3429182
3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanamide
CID 42757934
(2S,3R)-2-[(4-cyanophenyl)carbamoylamino]-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 93100429

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide?
The IUPAC name of N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide (CID 42762915) is N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide.
What is the SMILES notation for N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide?
The canonical SMILES for N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide is CCNC(=O)NC(C(=O)Nc1nnc(-c2ccc(N(C)C)cc2)s1)C(C)CC.
What is the InChIKey of N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide?
The InChIKey is SQLJQMUHWBOJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-6-12(3)15(21-18(27)20-7-2)16(26)22-19-24-23-17(28-19)13-8-10-14(11-9-13)25(4)5/h8-12,15H,6-7H2,1-5H3,(H2,20,21,27)(H,22,24,26).
What are the key properties of N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide?
N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide has a molecular weight of 404.54 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-(ethylcarbamoylamino)-3-methylpentanamide is sourced from PubChem (CID 42762915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).