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

C23H16Cl2N4O2S — CID 44530194

IUPACN-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccncc2)sc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl2N4O2S/c1-13-20(32-23(27-13)14-8-10-26-11-9-14)22(31)29-19-7-4-16(25)12-18(19)21(30)28-17-5-2-15(24)3-6-17/h2-12H,1H3,(H,28,30)(H,29,31)
InChIKeyLQIIZNWCHJWTKL-UHFFFAOYSA-N
MW483.38 g/mol
LogP6.32
Rot. Bonds5

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

N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 44530194) has the molecular formula C23H16Cl2N4O2S and a molecular weight of 483.38 g/mol. Its IUPAC name is N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID44530194
Molecular FormulaC23H16Cl2N4O2S
Molecular Weight483.38 g/mol
Exact Mass482.04
IUPAC NameN-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccncc2)sc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl2N4O2S/c1-13-20(32-23(27-13)14-8-10-26-11-9-14)22(31)29-19-7-4-16(25)12-18(19)21(30)28-17-5-2-15(24)3-6-17/h2-12H,1H3,(H,28,30)(H,29,31)
InChIKeyLQIIZNWCHJWTKL-UHFFFAOYSA-N
XLogP6.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.38
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 44530194) is N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccncc2)sc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LQIIZNWCHJWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N4O2S/c1-13-20(32-23(27-13)14-8-10-26-11-9-14)22(31)29-19-7-4-16(25)12-18(19)21(30)28-17-5-2-15(24)3-6-17/h2-12H,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 483.38 g/mol, XLogP of 6.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 44530194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).