1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide

C10H14ClN3O3S2 — CID 54979772

IUPAC1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H14ClN3O3S2/c1-6-9(18-10(11)13-6)19(16,17)14-5-3-4-7(14)8(15)12-2/h7H,3-5H2,1-2H3,(H,12,15)
InChIKeyQBAYDHJKCQAXFN-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.00
Rot. Bonds3

About 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide

1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 54979772) has the molecular formula C10H14ClN3O3S2 and a molecular weight of 323.83 g/mol. Its IUPAC name is 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID54979772
Molecular FormulaC10H14ClN3O3S2
Molecular Weight323.83 g/mol
Exact Mass323.02
IUPAC Name1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H14ClN3O3S2/c1-6-9(18-10(11)13-6)19(16,17)14-5-3-4-7(14)8(15)12-2/h7H,3-5H2,1-2H3,(H,12,15)
InChIKeyQBAYDHJKCQAXFN-UHFFFAOYSA-N
XLogP1.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 103833916
ethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 43648322
1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889113
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-N-methylpiperidine-2-carboxamide
CID 61046496
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 60960077
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61028177
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 61045232
2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole
CID 79477565
2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole
CID 61046643
2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 55061949
2-chloro-4-methyl-5-[(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazole
CID 61047057
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60950937

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide (CID 54979772) is 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is QBAYDHJKCQAXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S2/c1-6-9(18-10(11)13-6)19(16,17)14-5-3-4-7(14)8(15)12-2/h7H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide?
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 323.83 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54979772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).