2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

C10H11N3O3S3 — CID 47445414

IUPAC2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cs1
InChIInChI=1S/C10H11N3O3S3/c1-6-13-8(5-17-6)10(14)12-4-7-2-3-9(18-7)19(11,15)16/h2-3,5H,4H2,1H3,(H,12,14)(H2,11,15,16)
InChIKeyMMBUIAIOKJXBPB-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.09
Rot. Bonds4

About 2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 47445414) has the molecular formula C10H11N3O3S3 and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID47445414
Molecular FormulaC10H11N3O3S3
Molecular Weight317.42 g/mol
Exact Mass317.00
IUPAC Name2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cs1
InChIInChI=1S/C10H11N3O3S3/c1-6-13-8(5-17-6)10(14)12-4-7-2-3-9(18-7)19(11,15)16/h2-3,5H,4H2,1H3,(H,12,14)(H2,11,15,16)
InChIKeyMMBUIAIOKJXBPB-UHFFFAOYSA-N
XLogP1.09
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47099010
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443932
N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 47099016
4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47004961
2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119698675
2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 24645771
5-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62958487
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62339651
3-chloro-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80642639
4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
CID 65204670
2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 47099009

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 47445414) is 2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cs1.
What is the InChIKey of 2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MMBUIAIOKJXBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S3/c1-6-13-8(5-17-6)10(14)12-4-7-2-3-9(18-7)19(11,15)16/h2-3,5H,4H2,1H3,(H,12,14)(H2,11,15,16).
What are the key properties of 2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47445414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).