N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide

C22H22ClN3OS — CID 55706590

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C22H22ClN3OS/c23-18-8-6-16(7-9-18)15-26-12-10-19(11-13-26)25-21(27)20-14-24-22(28-20)17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2,(H,25,27)
InChIKeyOHYODAVSXDEEJV-UHFFFAOYSA-N
MW411.96 g/mol
LogP4.86
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 55706590) has the molecular formula C22H22ClN3OS and a molecular weight of 411.96 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID55706590
Molecular FormulaC22H22ClN3OS
Molecular Weight411.96 g/mol
Exact Mass411.12
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C22H22ClN3OS/c23-18-8-6-16(7-9-18)15-26-12-10-19(11-13-26)25-21(27)20-14-24-22(28-20)17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2,(H,25,27)
InChIKeyOHYODAVSXDEEJV-UHFFFAOYSA-N
XLogP4.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate
CID 142738884
N-(1-benzylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 117088638
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 45184928
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 117085648
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 55438177
N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide
CID 117083185
5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46566773
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide
CID 46587440
2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 117087880

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 55706590) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is OHYODAVSXDEEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3OS/c23-18-8-6-16(7-9-18)15-26-12-10-19(11-13-26)25-21(27)20-14-24-22(28-20)17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2,(H,25,27).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 411.96 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55706590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).