methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate

C13H13N5O4S2 — CID 14155354

IUPACmethyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C13H13N5O4S2/c1-7-6-8(2)18-12(14-7)15-13(16-18)24(20,21)17-9-4-5-23-10(9)11(19)22-3/h4-6,17H,1-3H3
InChIKeyNQWFIZSGGAGHEP-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.39
Rot. Bonds4

About methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 14155354) has the molecular formula C13H13N5O4S2 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate
PubChem CID14155354
Molecular FormulaC13H13N5O4S2
Molecular Weight367.41 g/mol
Exact Mass367.04
IUPAC Namemethyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C13H13N5O4S2/c1-7-6-8(2)18-12(14-7)15-13(16-18)24(20,21)17-9-4-5-23-10(9)11(19)22-3/h4-6,17H,1-3H3
InChIKeyNQWFIZSGGAGHEP-UHFFFAOYSA-N
XLogP1.39
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate with MolForge

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Related Compounds

ethyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate
CID 54486722
5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 571797
5,7-dimethyl-N-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 3615353
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
N-[2-(dimethylsulfamoyl)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14155140
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
propan-2-yl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-3-methylbenzoate
CID 14155175
propan-2-yl 2-bromo-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-4-methylbenzoate
CID 14155414
N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14155157
N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 26434472
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 38890684

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate (CID 14155354) is methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is NQWFIZSGGAGHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4S2/c1-7-6-8(2)18-12(14-7)15-13(16-18)24(20,21)17-9-4-5-23-10(9)11(19)22-3/h4-6,17H,1-3H3.
What are the key properties of methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 14155354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).