2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H26N2O2S — CID 111447016

IUPAC2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCC(C)CC(C)O)s2)c(C)c1
InChIInChI=1S/C19H26N2O2S/c1-11-6-7-16(13(3)8-11)19-21-15(5)17(24-19)18(23)20-10-12(2)9-14(4)22/h6-8,12,14,22H,9-10H2,1-5H3,(H,20,23)
InChIKeyANILQBIXKQAPLU-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.87
Rot. Bonds6

About 2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 111447016) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID111447016
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCC(C)CC(C)O)s2)c(C)c1
InChIInChI=1S/C19H26N2O2S/c1-11-6-7-16(13(3)8-11)19-21-15(5)17(24-19)18(23)20-10-12(2)9-14(4)22/h6-8,12,14,22H,9-10H2,1-5H3,(H,20,23)
InChIKeyANILQBIXKQAPLU-UHFFFAOYSA-N
XLogP3.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 111447016) is 2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)NCC(C)CC(C)O)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ANILQBIXKQAPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-11-6-7-16(13(3)8-11)19-21-15(5)17(24-19)18(23)20-10-12(2)9-14(4)22/h6-8,12,14,22H,9-10H2,1-5H3,(H,20,23).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111447016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).