1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C15H14ClN3O2S — CID 17201689

IUPAC1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cnc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)s1
InChIInChI=1S/C15H14ClN3O2S/c1-9-7-17-15(22-9)18-14(21)10-5-13(20)19(8-10)12-4-2-3-11(16)6-12/h2-4,6-7,10H,5,8H2,1H3,(H,17,18,21)
InChIKeyUUMIEFNWZNCHBT-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.10
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17201689) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17201689
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cnc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)s1
InChIInChI=1S/C15H14ClN3O2S/c1-9-7-17-15(22-9)18-14(21)10-5-13(20)19(8-10)12-4-2-3-11(16)6-12/h2-4,6-7,10H,5,8H2,1H3,(H,17,18,21)
InChIKeyUUMIEFNWZNCHBT-UHFFFAOYSA-N
XLogP3.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 17201689) is 1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cnc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)s1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UUMIEFNWZNCHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-9-7-17-15(22-9)18-14(21)10-5-13(20)19(8-10)12-4-2-3-11(16)6-12/h2-4,6-7,10H,5,8H2,1H3,(H,17,18,21).
What are the key properties of 1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 335.82 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17201689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).