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

C14H18N2S — CID 79420680

IUPAC2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCc1nc(CC(CN)c2ccccc2C)cs1
InChIInChI=1S/C14H18N2S/c1-10-5-3-4-6-14(10)12(8-15)7-13-9-17-11(2)16-13/h3-6,9,12H,7-8,15H2,1-2H3
InChIKeyABZUICGUHMNZHR-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.04
Rot. Bonds4

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

2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (PubChem CID 79420680) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
PubChem CID79420680
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCc1nc(CC(CN)c2ccccc2C)cs1
InChIInChI=1S/C14H18N2S/c1-10-5-3-4-6-14(10)12(8-15)7-13-9-17-11(2)16-13/h3-6,9,12H,7-8,15H2,1-2H3
InChIKeyABZUICGUHMNZHR-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (CID 79420680) is 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is Cc1nc(CC(CN)c2ccccc2C)cs1.
What is the InChIKey of 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is ABZUICGUHMNZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-5-3-4-6-14(10)12(8-15)7-13-9-17-11(2)16-13/h3-6,9,12H,7-8,15H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-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 2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 79420680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).