1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one

C15H16ClN3OS — CID 168582341

IUPAC1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C15H16ClN3OS/c1-10-4-5-13(19-6-2-3-14(19)20)12(7-10)17-8-11-9-18-15(16)21-11/h4-5,7,9,17H,2-3,6,8H2,1H3
InChIKeyUSWKFUWKASMANN-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.84
Rot. Bonds4

About 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one

1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one (PubChem CID 168582341) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one
PubChem CID168582341
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)c(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C15H16ClN3OS/c1-10-4-5-13(19-6-2-3-14(19)20)12(7-10)17-8-11-9-18-15(16)21-11/h4-5,7,9,17H,2-3,6,8H2,1H3
InChIKeyUSWKFUWKASMANN-UHFFFAOYSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-{2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl}phenyl)acetamide
CID 122243076
(3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
CID 155558961
US10138230, Example F197
CID 122446317
N'-(2-aminophenyl)-N-[4-[5-(anilinomethyl)-1,3-thiazol-2-yl]phenyl]butanediamide
CID 177649814
(S)-N-(3-(dimethylamino)-3-oxopropyl)-N-(4-(thiazol-2-yl)phenyl)pyrrolidine-2-carboxamide
CID 166594190
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 72130349
N-[4-[[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]methyl]phenyl]acetamide
CID 132291700
(2-Ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone
CID 136561694
1-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
CID 51118586
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 53583279
(2E)-2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]-2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide
CID 54752013
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55839744

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one (CID 168582341) is 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one is Cc1ccc(N2CCCC2=O)c(NCc2cnc(Cl)s2)c1.
What is the InChIKey of 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one?
The InChIKey is USWKFUWKASMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-10-4-5-13(19-6-2-3-14(19)20)12(7-10)17-8-11-9-18-15(16)21-11/h4-5,7,9,17H,2-3,6,8H2,1H3.
What are the key properties of 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one?
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one has a molecular weight of 321.83 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 168582341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).