N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C24H22ClFN4O4S — CID 3800711

IUPACN-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1csc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1
InChIInChI=1S/C24H22ClFN4O4S/c1-34-19-6-5-14(21(27)31)11-17(19)28-22(32)18-12-35-23(29-18)13-7-9-30(10-8-13)24(33)20-15(25)3-2-4-16(20)26/h2-6,11-13H,7-10H2,1H3,(H2,27,31)(H,28,32)
InChIKeyWZSNEWYAJUFVFY-UHFFFAOYSA-N
MW516.98 g/mol
LogP4.32
Rot. Bonds6

About N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3800711) has the molecular formula C24H22ClFN4O4S and a molecular weight of 516.98 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID3800711
Molecular FormulaC24H22ClFN4O4S
Molecular Weight516.98 g/mol
Exact Mass516.10
IUPAC NameN-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1csc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1
InChIInChI=1S/C24H22ClFN4O4S/c1-34-19-6-5-14(21(27)31)11-17(19)28-22(32)18-12-35-23(29-18)13-7-9-30(10-8-13)24(33)20-15(25)3-2-4-16(20)26/h2-6,11-13H,7-10H2,1H3,(H2,27,31)(H,28,32)
InChIKeyWZSNEWYAJUFVFY-UHFFFAOYSA-N
XLogP4.32
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.98
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(2-chlorobenzamido)-3-methoxyphenyl)thiazole-4-carboxamide
CID 51003232
N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3862932
N-(5-carbamoyl-2-methoxyphenyl)-2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3697027
N-[(3-chloro-4-fluorophenyl)methyl]-2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3725735
N-(5-carbamoyl-2-methoxyphenyl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3713772
N-(5-carbamoyl-2-methoxyphenyl)-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23820495
2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-N-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59209286
2-(4-Fluorophenyl)-1-[4-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 67310043
N-[3-chloro-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide
CID 68303612
N-[3-chloro-4-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 68303931
N-[4-chloro-3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide
CID 68306089
N-(5-carbamoyl-2-methoxyphenyl)-2-[1-[2-fluoro-6-(iodomethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 89336508

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 3800711) is N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is COc1ccc(C(N)=O)cc1NC(=O)c1csc(C2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1.
What is the InChIKey of N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is WZSNEWYAJUFVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O4S/c1-34-19-6-5-14(21(27)31)11-17(19)28-22(32)18-12-35-23(29-18)13-7-9-30(10-8-13)24(33)20-15(25)3-2-4-16(20)26/h2-6,11-13H,7-10H2,1H3,(H2,27,31)(H,28,32).
What are the key properties of N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 516.98 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methoxyphenyl)-2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3800711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).