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

C17H17ClN4O3S2 — CID 55853252

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)sc1SCC(N)=O
InChIInChI=1S/C17H17ClN4O3S2/c1-9-16(26-8-13(19)23)27-17(20-9)21-15(25)10-6-14(24)22(7-10)12-4-2-11(18)3-5-12/h2-5,10H,6-8H2,1H3,(H2,19,23)(H,20,21,25)
InChIKeyNNMIRSNOIBJQJN-UHFFFAOYSA-N
MW424.94 g/mol
LogP2.67
Rot. Bonds6

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

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55853252) has the molecular formula C17H17ClN4O3S2 and a molecular weight of 424.94 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55853252
Molecular FormulaC17H17ClN4O3S2
Molecular Weight424.94 g/mol
Exact Mass424.04
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)sc1SCC(N)=O
InChIInChI=1S/C17H17ClN4O3S2/c1-9-16(26-8-13(19)23)27-17(20-9)21-15(25)10-6-14(24)22(7-10)12-4-2-11(18)3-5-12/h2-5,10H,6-8H2,1H3,(H2,19,23)(H,20,21,25)
InChIKeyNNMIRSNOIBJQJN-UHFFFAOYSA-N
XLogP2.67
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108787231
(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7438824
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497606
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6493237
1-(4-chlorophenyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90543646
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082058
(3R)-1-(4-chlorophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7337191
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119630418
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
N-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17308367
(3S)-N-(4-carbamoylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9391052
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 55853252) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is Cc1nc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)sc1SCC(N)=O.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NNMIRSNOIBJQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S2/c1-9-16(26-8-13(19)23)27-17(20-9)21-15(25)10-6-14(24)22(7-10)12-4-2-11(18)3-5-12/h2-5,10H,6-8H2,1H3,(H2,19,23)(H,20,21,25).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 424.94 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55853252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).