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

C9H12ClN3O4S2 — CID 61047580

IUPAC1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C9H12ClN3O4S2/c1-4-8(18-9(10)12-4)19(16,17)13-3-5(14)2-6(13)7(11)15/h5-6,14H,2-3H2,1H3,(H2,11,15)
InChIKeyDRVVYDWWGZFOSZ-UHFFFAOYSA-N
MW325.80 g/mol
LogP-0.29
Rot. Bonds3

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

1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 61047580) has the molecular formula C9H12ClN3O4S2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID61047580
Molecular FormulaC9H12ClN3O4S2
Molecular Weight325.80 g/mol
Exact Mass325.00
IUPAC Name1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C9H12ClN3O4S2/c1-4-8(18-9(10)12-4)19(16,17)13-3-5(14)2-6(13)7(11)15/h5-6,14H,2-3H2,1H3,(H2,11,15)
InChIKeyDRVVYDWWGZFOSZ-UHFFFAOYSA-N
XLogP-0.29
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107271319
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 54979772
ethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 43648322
1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 114379175
2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 55061949
1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 103171274
[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
CID 103833916
4-hydroxy-1-sulfamoylpyrrolidine-2-carboxamide
CID 112689179
(2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide
CID 98856378
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-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 103532801
(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 126825870

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide (CID 61047580) is 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide is Cc1nc(Cl)sc1S(=O)(=O)N1CC(O)CC1C(N)=O.
What is the InChIKey of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is DRVVYDWWGZFOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O4S2/c1-4-8(18-9(10)12-4)19(16,17)13-3-5(14)2-6(13)7(11)15/h5-6,14H,2-3H2,1H3,(H2,11,15).
What are the key properties of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide?
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 325.80 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61047580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).