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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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).