2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine

C13H16N2S — CID 112644178

IUPAC2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCc1ccccc1C(CN)Cc1cncs1
InChIInChI=1S/C13H16N2S/c1-10-4-2-3-5-13(10)11(7-14)6-12-8-15-9-16-12/h2-5,8-9,11H,6-7,14H2,1H3
InChIKeyMTZYJTQWBVOKEN-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.74
Rot. Bonds4

About 2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine

2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine (PubChem CID 112644178) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
PubChem CID112644178
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCc1ccccc1C(CN)Cc1cncs1
InChIInChI=1S/C13H16N2S/c1-10-4-2-3-5-13(10)11(7-14)6-12-8-15-9-16-12/h2-5,8-9,11H,6-7,14H2,1H3
InChIKeyMTZYJTQWBVOKEN-UHFFFAOYSA-N
XLogP2.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979445
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79420680
1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 107985817
1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104585372
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420760
1-(4-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642068
1-(2-bromo-3-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107985345
1-(3-methyl-2-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112642901
2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644240
2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644237
1-(2-methylquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105178009

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine (CID 112644178) is 2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine is Cc1ccccc1C(CN)Cc1cncs1.
What is the InChIKey of 2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is MTZYJTQWBVOKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-4-2-3-5-13(10)11(7-14)6-12-8-15-9-16-12/h2-5,8-9,11H,6-7,14H2,1H3.
What are the key properties of 2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine?
2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 2.74, 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-(1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 112644178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).