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

C16H12ClN3OS — CID 53158268

IUPACN-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H12ClN3OS/c17-13-3-1-11(2-4-13)9-19-15(21)16-20-14(10-22-16)12-5-7-18-8-6-12/h1-8,10H,9H2,(H,19,21)
InChIKeyQXCPDICQITUDDA-UHFFFAOYSA-N
MW329.81 g/mol
LogP3.79
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide (PubChem CID 53158268) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide
PubChem CID53158268
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC NameN-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H12ClN3OS/c17-13-3-1-11(2-4-13)9-19-15(21)16-20-14(10-22-16)12-5-7-18-8-6-12/h1-8,10H,9H2,(H,19,21)
InChIKeyQXCPDICQITUDDA-UHFFFAOYSA-N
XLogP3.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide (CID 53158268) is N-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide?
The InChIKey is QXCPDICQITUDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-13-3-1-11(2-4-13)9-19-15(21)16-20-14(10-22-16)12-5-7-18-8-6-12/h1-8,10H,9H2,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide?
N-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide has a molecular weight of 329.81 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 53158268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).