4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide

C19H19N3OS — CID 78837201

IUPAC4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sc(-c3ccccc3)nc2C)c(C)n1
InChIInChI=1S/C19H19N3OS/c1-11-10-12(2)20-13(3)16(11)22-18(23)17-14(4)21-19(24-17)15-8-6-5-7-9-15/h5-10H,1-4H3,(H,22,23)
InChIKeyXVVAVCBZMREUTG-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.69
Rot. Bonds3

About 4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide

4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 78837201) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID78837201
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2sc(-c3ccccc3)nc2C)c(C)n1
InChIInChI=1S/C19H19N3OS/c1-11-10-12(2)20-13(3)16(11)22-18(23)17-14(4)21-19(24-17)15-8-6-5-7-9-15/h5-10H,1-4H3,(H,22,23)
InChIKeyXVVAVCBZMREUTG-UHFFFAOYSA-N
XLogP4.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 17398337
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4076042
N-(2-bromo-4-methylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27667984
N-(4-bromo-2,6-dimethylphenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 100801716
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527
N-[2-(1-hydroxyethyl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110885308
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124109
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
N-(2-methoxypyrimidin-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 71799752

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide (CID 78837201) is 4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide is Cc1cc(C)c(NC(=O)c2sc(-c3ccccc3)nc2C)c(C)n1.
What is the InChIKey of 4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XVVAVCBZMREUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-11-10-12(2)20-13(3)16(11)22-18(23)17-14(4)21-19(24-17)15-8-6-5-7-9-15/h5-10H,1-4H3,(H,22,23).
What are the key properties of 4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78837201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).