5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide

C16H20N2OS — CID 110649271

IUPAC5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccccc2)nc1C(=O)NCCC(C)C
InChIInChI=1S/C16H20N2OS/c1-11(2)9-10-17-15(19)14-12(3)20-16(18-14)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyFJMGGABNSGPAJS-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.89
Rot. Bonds5

About 5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide

5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 110649271) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID110649271
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccccc2)nc1C(=O)NCCC(C)C
InChIInChI=1S/C16H20N2OS/c1-11(2)9-10-17-15(19)14-12(3)20-16(18-14)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyFJMGGABNSGPAJS-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 110342389
5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide
CID 110647228
2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 110342379
2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 91822166
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
4-methyl-N-[3-(2-methylpropoxy)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 18276457
N-(2-methoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650217
N-(2-ethoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650287
2-methyl-1-(3-methylbutyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 110978938
methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110650599
N-(3-methylbutyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203048
2-(furan-2-yl)-N-(4-hydroxypentyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 107299887

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 110649271) is 5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccccc2)nc1C(=O)NCCC(C)C.
What is the InChIKey of 5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is FJMGGABNSGPAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)9-10-17-15(19)14-12(3)20-16(18-14)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,17,19).
What are the key properties of 5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide?
5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110649271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).