N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

C22H21ClN4O2S — CID 24675937

IUPACN-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C22H21ClN4O2S/c23-16-7-4-14(5-8-16)22-26-18(13-30-22)21(29)25-17-12-15(20(24)28)6-9-19(17)27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H2,24,28)(H,25,29)
InChIKeyMKSDADXUQYLUCP-UHFFFAOYSA-N
MW440.96 g/mol
LogP4.80
Rot. Bonds5

About N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24675937) has the molecular formula C22H21ClN4O2S and a molecular weight of 440.96 g/mol. Its IUPAC name is N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID24675937
Molecular FormulaC22H21ClN4O2S
Molecular Weight440.96 g/mol
Exact Mass440.11
IUPAC NameN-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C22H21ClN4O2S/c23-16-7-4-14(5-8-16)22-26-18(13-30-22)21(29)25-17-12-15(20(24)28)6-9-19(17)27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H2,24,28)(H,25,29)
InChIKeyMKSDADXUQYLUCP-UHFFFAOYSA-N
XLogP4.80
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.96
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 167978877
3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 47818113
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24653936
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 99812136
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
CID 17467965
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 30460786
N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 71852717
3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide
CID 88852610
3-[[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 46512844
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24675902
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 24675937) is N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MKSDADXUQYLUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2S/c23-16-7-4-14(5-8-16)22-26-18(13-30-22)21(29)25-17-12-15(20(24)28)6-9-19(17)27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H2,24,28)(H,25,29).
What are the key properties of N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 440.96 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24675937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).