2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide

C17H22N2OS — CID 110329629

IUPAC2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
SMILESCc1cccc(-c2nc(C)c(CC(=O)NCC(C)C)s2)c1
InChIInChI=1S/C17H22N2OS/c1-11(2)10-18-16(20)9-15-13(4)19-17(21-15)14-7-5-6-12(3)8-14/h5-8,11H,9-10H2,1-4H3,(H,18,20)
InChIKeyDPCXPWOZWRWVEY-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.74
Rot. Bonds5

About 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide

2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide (PubChem CID 110329629) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
PubChem CID110329629
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
SMILESCc1cccc(-c2nc(C)c(CC(=O)NCC(C)C)s2)c1
InChIInChI=1S/C17H22N2OS/c1-11(2)10-18-16(20)9-15-13(4)19-17(21-15)14-7-5-6-12(3)8-14/h5-8,11H,9-10H2,1-4H3,(H,18,20)
InChIKeyDPCXPWOZWRWVEY-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329641
2-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide
CID 110329378
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329647
4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886466
3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7502972
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771
N-(3-amino-2-methylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119995232
N-[(4-methoxyphenyl)methyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329472
N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328926
3-[2-(3-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82433961
2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 110329692
N-(2,5-dimethylphenyl)-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329225

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide (CID 110329629) is 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide is Cc1cccc(-c2nc(C)c(CC(=O)NCC(C)C)s2)c1.
What is the InChIKey of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is DPCXPWOZWRWVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11(2)10-18-16(20)9-15-13(4)19-17(21-15)14-7-5-6-12(3)8-14/h5-8,11H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide?
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 302.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 110329629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).