2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol

C16H22N2OS — CID 106508633

IUPAC2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)(CO)Cc2nc(C)c(C)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-11-4-6-14(7-5-11)16(9-17,10-19)8-15-18-12(2)13(3)20-15/h4-7,19H,8-10,17H2,1-3H3
InChIKeyNYVSVZMXHZQXJY-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.50
Rot. Bonds5

About 2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol

2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 106508633) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol
PubChem CID106508633
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CN)(CO)Cc2nc(C)c(C)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-11-4-6-14(7-5-11)16(9-17,10-19)8-15-18-12(2)13(3)20-15/h4-7,19H,8-10,17H2,1-3H3
InChIKeyNYVSVZMXHZQXJY-UHFFFAOYSA-N
XLogP2.50
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol 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

(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol
CID 164638240
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-2-ol
CID 80304050
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propan-2-ol
CID 80304667
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-(3-fluorophenyl)propan-2-ol
CID 80305445
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 80306061
3-(4-Tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 80317478
3-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 80317567
2-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 80317677
2-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 80317728
2-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 80317820
3-(4-Tert-butyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)propan-1-ol
CID 80317884
3-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)propan-1-ol
CID 80317967

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol (CID 106508633) is 2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CN)(CO)Cc2nc(C)c(C)s2)cc1.
What is the InChIKey of 2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is NYVSVZMXHZQXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-4-6-14(7-5-11)16(9-17,10-19)8-15-18-12(2)13(3)20-15/h4-7,19H,8-10,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 106508633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).