N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

C16H15ClN4O3S — CID 16881421

IUPACN-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCC(=O)N2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O3S/c17-9-2-1-3-10(6-9)18-14(23)7-11-8-25-16(19-11)21-15(24)12-4-5-13(22)20-12/h1-3,6,8,12H,4-5,7H2,(H,18,23)(H,20,22)(H,19,21,24)
InChIKeyXUQLJCMVMHYOQC-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.19
Rot. Bonds5

About N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 16881421) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID16881421
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC NameN-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCC(=O)N2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O3S/c17-9-2-1-3-10(6-9)18-14(23)7-11-8-25-16(19-11)21-15(24)12-4-5-13(22)20-12/h1-3,6,8,12H,4-5,7H2,(H,18,23)(H,20,22)(H,19,21,24)
InChIKeyXUQLJCMVMHYOQC-UHFFFAOYSA-N
XLogP2.19
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(3-acetamidoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881480
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881419
(2S)-5-oxo-N-[4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 42590179
N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881397
N-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881445
N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881455
(2S)-N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 42590169
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881375
2-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912
(2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 42590140
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 18567623

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 16881421) is N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is O=C(Cc1csc(NC(=O)C2CCC(=O)N2)n1)Nc1cccc(Cl)c1.
What is the InChIKey of N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XUQLJCMVMHYOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c17-9-2-1-3-10(6-9)18-14(23)7-11-8-25-16(19-11)21-15(24)12-4-5-13(22)20-12/h1-3,6,8,12H,4-5,7H2,(H,18,23)(H,20,22)(H,19,21,24).
What are the key properties of N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 378.84 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 16881421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).