2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole

C15H16N4S — CID 155952273

IUPAC2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2csc(-c3cn(C)nn3)n2)cc1
InChIInChI=1S/C15H16N4S/c1-10(2)11-4-6-12(7-5-11)14-9-20-15(16-14)13-8-19(3)18-17-13/h4-10H,1-3H3
InChIKeyZFHPNBHRXLUKDJ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.73
Rot. Bonds3

About 2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole

2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 155952273) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole
PubChem CID155952273
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2csc(-c3cn(C)nn3)n2)cc1
InChIInChI=1S/C15H16N4S/c1-10(2)11-4-6-12(7-5-11)14-9-20-15(16-14)13-8-19(3)18-17-13/h4-10H,1-3H3
InChIKeyZFHPNBHRXLUKDJ-UHFFFAOYSA-N
XLogP3.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole 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

4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
1-methyl-4-phenyltriazole
CID 11309663
4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907532
2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
CID 63447079
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097202
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966807
5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine
CID 21357962
6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82483141
3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole
CID 130521815
5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine
CID 21357994

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole (CID 155952273) is 2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole is CC(C)c1ccc(-c2csc(-c3cn(C)nn3)n2)cc1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is ZFHPNBHRXLUKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10(2)11-4-6-12(7-5-11)14-9-20-15(16-14)13-8-19(3)18-17-13/h4-10H,1-3H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole?
2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 284.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 155952273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).