N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C14H18N4O3S2 — CID 18128745

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)sc1C
InChIInChI=1S/C14H18N4O3S2/c1-9-10(2)22-14(16-9)17-13(19)12-7-11(8-15-12)23(20,21)18-5-3-4-6-18/h7-8,15H,3-6H2,1-2H3,(H,16,17,19)
InChIKeyZTOWEHLOHIGLJG-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.12
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 18128745) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID18128745
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)sc1C
InChIInChI=1S/C14H18N4O3S2/c1-9-10(2)22-14(16-9)17-13(19)12-7-11(8-15-12)23(20,21)18-5-3-4-6-18/h7-8,15H,3-6H2,1-2H3,(H,16,17,19)
InChIKeyZTOWEHLOHIGLJG-UHFFFAOYSA-N
XLogP2.12
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51126322
N-(4-methoxyphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 22551854
N-(3,5-dimethoxyphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106093
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
CID 9451230
N-(2-hydroxyethyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 43392938
N-butyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106265
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 43440229
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828049
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 31527634
N-(3,4-dimethylphenyl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 60591125
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 18128745) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is Cc1nc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is ZTOWEHLOHIGLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-9-10(2)22-14(16-9)17-13(19)12-7-11(8-15-12)23(20,21)18-5-3-4-6-18/h7-8,15H,3-6H2,1-2H3,(H,16,17,19).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18128745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).