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

C18H15ClN2OS — CID 9401432

IUPACN-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H15ClN2OS/c1-12-16(23-18(21-12)13-7-3-2-4-8-13)17(22)20-11-14-9-5-6-10-15(14)19/h2-10H,11H2,1H3,(H,20,22)
InChIKeyZOPMVRIFKBQRGE-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.70
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 9401432) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID9401432
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC NameN-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H15ClN2OS/c1-12-16(23-18(21-12)13-7-3-2-4-8-13)17(22)20-11-14-9-5-6-10-15(14)19/h2-10H,11H2,1H3,(H,20,22)
InChIKeyZOPMVRIFKBQRGE-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 9401432) is N-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZOPMVRIFKBQRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-12-16(23-18(21-12)13-7-3-2-4-8-13)17(22)20-11-14-9-5-6-10-15(14)19/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 342.85 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9401432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).