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

C18H18ClN3O2S — CID 42917876

IUPACN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1sc(NC(=O)C2CC(=O)N(C3CC3)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-10-16(11-2-4-13(19)5-3-11)20-18(25-10)21-17(24)12-8-15(23)22(9-12)14-6-7-14/h2-5,12,14H,6-9H2,1H3,(H,20,21,24)
InChIKeyRLOGQMFKQRAEKL-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.72
Rot. Bonds4

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

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 42917876) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
PubChem CID42917876
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1sc(NC(=O)C2CC(=O)N(C3CC3)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2S/c1-10-16(11-2-4-13(19)5-3-11)20-18(25-10)21-17(24)12-8-15(23)22(9-12)14-6-7-14/h2-5,12,14H,6-9H2,1H3,(H,20,21,24)
InChIKeyRLOGQMFKQRAEKL-UHFFFAOYSA-N
XLogP3.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713
1-(4-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108787231
cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 26291745
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578349
(1R,2S,3R,4S)-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51417002
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17081409
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17457754
(3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95306606
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26291752
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26291728
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55344939
(3S)-N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 6920596

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (CID 42917876) is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is Cc1sc(NC(=O)C2CC(=O)N(C3CC3)C2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RLOGQMFKQRAEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-10-16(11-2-4-13(19)5-3-11)20-18(25-10)21-17(24)12-8-15(23)22(9-12)14-6-7-14/h2-5,12,14H,6-9H2,1H3,(H,20,21,24).
What are the key properties of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42917876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).