N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide

C22H20ClN3O2S — CID 34424164

IUPACN-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2S/c23-17-8-6-16(7-9-17)21-25-19(14-29-21)22(28)26-12-10-18(11-13-26)24-20(27)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2,(H,24,27)
InChIKeyVGCHJHOGQYCFHH-UHFFFAOYSA-N
MW425.94 g/mol
LogP4.50
Rot. Bonds4

About N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide

N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide (PubChem CID 34424164) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
PubChem CID34424164
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC NameN-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2S/c23-17-8-6-16(7-9-17)21-25-19(14-29-21)22(28)26-12-10-18(11-13-26)24-20(27)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2,(H,24,27)
InChIKeyVGCHJHOGQYCFHH-UHFFFAOYSA-N
XLogP4.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 166338837
N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86883401
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 46579239
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 112804151
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561577
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46565883
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24680878
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24660099

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide (CID 34424164) is N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is VGCHJHOGQYCFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c23-17-8-6-16(7-9-17)21-25-19(14-29-21)22(28)26-12-10-18(11-13-26)24-20(27)15-4-2-1-3-5-15/h1-9,14,18H,10-13H2,(H,24,27).
What are the key properties of N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 425.94 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 34424164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).