N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide

C18H20ClN3O2S2 — CID 60608994

IUPACN-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H20ClN3O2S2/c1-3-11(2)20-16(23)15-9-25-10-22(15)18(24)14-8-26-17(21-14)12-4-6-13(19)7-5-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,20,23)
InChIKeyKRWWAGWVFPLRJG-UHFFFAOYSA-N
MW409.96 g/mol
LogP3.89
Rot. Bonds5

About N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide

N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 60608994) has the molecular formula C18H20ClN3O2S2 and a molecular weight of 409.96 g/mol. Its IUPAC name is N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID60608994
Molecular FormulaC18H20ClN3O2S2
Molecular Weight409.96 g/mol
Exact Mass409.07
IUPAC NameN-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H20ClN3O2S2/c1-3-11(2)20-16(23)15-9-25-10-22(15)18(24)14-8-26-17(21-14)12-4-6-13(19)7-5-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,20,23)
InChIKeyKRWWAGWVFPLRJG-UHFFFAOYSA-N
XLogP3.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119437020
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
[2-(aminomethyl)pyrrolidin-1-yl]-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 119633830
N-tert-butyl-3-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 71879707
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600493
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745328
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 119175795
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119472822
1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
CID 58782173
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 24658232
(4S)-3-[(2R)-2-phenylbutanoyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 92730213

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 60608994) is N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide is CCC(C)NC(=O)C1CSCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is KRWWAGWVFPLRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S2/c1-3-11(2)20-16(23)15-9-25-10-22(15)18(24)14-8-26-17(21-14)12-4-6-13(19)7-5-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 409.96 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60608994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).