3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C14H18N2S — CID 83977375

IUPAC3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCc1csc(C(CN)Cc2ccccc2C)n1
InChIInChI=1S/C14H18N2S/c1-10-5-3-4-6-12(10)7-13(8-15)14-16-11(2)9-17-14/h3-6,9,13H,7-8,15H2,1-2H3
InChIKeyCTYFGWVKDYZQIJ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.04
Rot. Bonds4

About 3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 83977375) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID83977375
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCc1csc(C(CN)Cc2ccccc2C)n1
InChIInChI=1S/C14H18N2S/c1-10-5-3-4-6-12(10)7-13(8-15)14-16-11(2)9-17-14/h3-6,9,13H,7-8,15H2,1-2H3
InChIKeyCTYFGWVKDYZQIJ-UHFFFAOYSA-N
XLogP3.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977372
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methylphenyl)propan-1-amine
CID 83977459
3-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977396
3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977399
2-(2,4-dimethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83972876
3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977361
4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
CID 21365787
(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 165410235
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 60723741
3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977408

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 83977375) is 3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is Cc1csc(C(CN)Cc2ccccc2C)n1.
What is the InChIKey of 3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is CTYFGWVKDYZQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-5-3-4-6-12(10)7-13(8-15)14-16-11(2)9-17-14/h3-6,9,13H,7-8,15H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 83977375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).