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

C17H17ClN4O3S — CID 16881397

IUPACN-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCC(=O)N2)n1)NCc1ccccc1Cl
InChIInChI=1S/C17H17ClN4O3S/c18-12-4-2-1-3-10(12)8-19-15(24)7-11-9-26-17(20-11)22-16(25)13-5-6-14(23)21-13/h1-4,9,13H,5-8H2,(H,19,24)(H,21,23)(H,20,22,25)
InChIKeyQWXXIINYPUPWNI-UHFFFAOYSA-N
MW392.87 g/mol
LogP1.87
Rot. Bonds6

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

N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 16881397) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID16881397
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC NameN-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)C2CCC(=O)N2)n1)NCc1ccccc1Cl
InChIInChI=1S/C17H17ClN4O3S/c18-12-4-2-1-3-10(12)8-19-15(24)7-11-9-26-17(20-11)22-16(25)13-5-6-14(23)21-13/h1-4,9,13H,5-8H2,(H,19,24)(H,21,23)(H,20,22,25)
InChIKeyQWXXIINYPUPWNI-UHFFFAOYSA-N
XLogP1.87
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 42590140
N-[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881375
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
N-[4-[2-(3-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881421
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
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881382
(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-(2,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881445
N-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881409
N-[(2-chlorophenyl)methyl]-2-[2-(sulfanylmethyl)-1,3-thiazol-4-yl]acetamide
CID 91525687

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 16881397) is N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is O=C(Cc1csc(NC(=O)C2CCC(=O)N2)n1)NCc1ccccc1Cl.
What is the InChIKey of N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QWXXIINYPUPWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c18-12-4-2-1-3-10(12)8-19-15(24)7-11-9-26-17(20-11)22-16(25)13-5-6-14(23)21-13/h1-4,9,13H,5-8H2,(H,19,24)(H,21,23)(H,20,22,25).
What are the key properties of N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 392.87 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 16881397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).