1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide

C10H12N4O3S2 — CID 36916717

IUPAC1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2nccs2)n(C)c1
InChIInChI=1S/C10H12N4O3S2/c1-11-19(16,17)7-5-8(14(2)6-7)9(15)13-10-12-3-4-18-10/h3-6,11H,1-2H3,(H,12,13,15)
InChIKeyYXUXPTXUJORKCH-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.64
Rot. Bonds4

About 1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide

1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 36916717) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
PubChem CID36916717
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2nccs2)n(C)c1
InChIInChI=1S/C10H12N4O3S2/c1-11-19(16,17)7-5-8(14(2)6-7)9(15)13-10-12-3-4-18-10/h3-6,11H,1-2H3,(H,12,13,15)
InChIKeyYXUXPTXUJORKCH-UHFFFAOYSA-N
XLogP0.64
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641889
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 94490887
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 32628091
4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641885
1-methyl-4-(methylsulfamoyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrrole-2-carboxamide
CID 41023169
1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2999793
(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 30063127
(2S,3R)-3-hydroxy-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104965020
1-methyl-4-(methylsulfamoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 103855918
N-[(2R)-1-hydroxybutan-2-yl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 93041462
N-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 37485309

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide (CID 36916717) is 1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)Nc2nccs2)n(C)c1.
What is the InChIKey of 1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is YXUXPTXUJORKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-11-19(16,17)7-5-8(14(2)6-7)9(15)13-10-12-3-4-18-10/h3-6,11H,1-2H3,(H,12,13,15).
What are the key properties of 1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 36916717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).