4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide

C21H16N2OS — CID 4076042

IUPAC4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H16N2OS/c1-14-19(25-21(22-14)16-9-3-2-4-10-16)20(24)23-18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3,(H,23,24)
InChIKeyNWEAQWFUCTVJDI-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.52
Rot. Bonds3

About 4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 4076042) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID4076042
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H16N2OS/c1-14-19(25-21(22-14)16-9-3-2-4-10-16)20(24)23-18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3,(H,23,24)
InChIKeyNWEAQWFUCTVJDI-UHFFFAOYSA-N
XLogP5.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
N-[2-(1-hydroxyethyl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110885308
N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 30544350
N-(2-bromo-4-methylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27667984
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 17398337
N-(3-benzamido-2-methylphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899419
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 78837201
4-methyl-N'-(2-naphthalen-2-ylacetyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418607
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27675116
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 39820934

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide (CID 4076042) is 4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is NWEAQWFUCTVJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c1-14-19(25-21(22-14)16-9-3-2-4-10-16)20(24)23-18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3,(H,23,24).
What are the key properties of 4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4076042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).