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

C15H13Cl2N3O2S — CID 29136259

IUPAC(3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)s1
InChIInChI=1S/C15H13Cl2N3O2S/c1-8-6-18-15(23-8)19-14(22)9-4-13(21)20(7-9)12-5-10(16)2-3-11(12)17/h2-3,5-6,9H,4,7H2,1H3,(H,18,19,22)/t9-/m0/s1
InChIKeyYPIVZKOTYCUKBZ-VIFPVBQESA-N
MW370.26 g/mol
LogP3.75
Rot. Bonds3

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

(3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 29136259) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is (3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID29136259
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name(3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)s1
InChIInChI=1S/C15H13Cl2N3O2S/c1-8-6-18-15(23-8)19-14(22)9-4-13(21)20(7-9)12-5-10(16)2-3-11(12)17/h2-3,5-6,9H,4,7H2,1H3,(H,18,19,22)/t9-/m0/s1
InChIKeyYPIVZKOTYCUKBZ-VIFPVBQESA-N
XLogP3.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 18525235
(3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004637
1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113191086
(3S)-1-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29130741
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
1-(3-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952988
(3S)-1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 51698555
(3S)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51721644
1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191072
ethyl 1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50873791
N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191100
1-(5-chloro-2-methylphenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187608

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 29136259) is (3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)s1.
What is the InChIKey of (3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YPIVZKOTYCUKBZ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c1-8-6-18-15(23-8)19-14(22)9-4-13(21)20(7-9)12-5-10(16)2-3-11(12)17/h2-3,5-6,9H,4,7H2,1H3,(H,18,19,22)/t9-/m0/s1.
What are the key properties of (3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.26 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,5-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 29136259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).