4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide

C18H16ClN3OS — CID 118709539

IUPAC4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C(N)=O)s2)ccn1
InChIInChI=1S/C18H16ClN3OS/c1-2-3-14-10-12(8-9-21-14)18-22-15(16(24-18)17(20)23)11-4-6-13(19)7-5-11/h4-10H,2-3H2,1H3,(H2,20,23)
InChIKeyYFUDCDUIECSPRU-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.58
Rot. Bonds5

About 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide

4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 118709539) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID118709539
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C(N)=O)s2)ccn1
InChIInChI=1S/C18H16ClN3OS/c1-2-3-14-10-12(8-9-21-14)18-22-15(16(24-18)17(20)23)11-4-6-13(19)7-5-11/h4-10H,2-3H2,1H3,(H2,20,23)
InChIKeyYFUDCDUIECSPRU-UHFFFAOYSA-N
XLogP4.58
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
4-Amino-6-chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10237032
2-(2-Aminopyrimidin-4-yl)-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxamide
CID 76072859
N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 11617549
N-(4-chlorophenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644830
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838
N-(3-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644843
N-(3,4-dichlorophenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644848
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644850
N-(2-fluoro-4-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644852
15-(4-Chlorophenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44291154
N4-(4-chlorobenzyl)-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824334

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide (CID 118709539) is 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide is CCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C(N)=O)s2)ccn1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YFUDCDUIECSPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-2-3-14-10-12(8-9-21-14)18-22-15(16(24-18)17(20)23)11-4-6-13(19)7-5-11/h4-10H,2-3H2,1H3,(H2,20,23).
What are the key properties of 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 357.87 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118709539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).