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

C13H16N2S — CID 115039140

IUPAC3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCc1ccc(C(CCN)c2nccs2)cc1
InChIInChI=1S/C13H16N2S/c1-10-2-4-11(5-3-10)12(6-7-14)13-15-8-9-16-13/h2-5,8-9,12H,6-7,14H2,1H3
InChIKeyGOZPLERBXWHVFR-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.93
Rot. Bonds4

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

3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 115039140) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID115039140
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCc1ccc(C(CCN)c2nccs2)cc1
InChIInChI=1S/C13H16N2S/c1-10-2-4-11(5-3-10)12(6-7-14)13-15-8-9-16-13/h2-5,8-9,12H,6-7,14H2,1H3
InChIKeyGOZPLERBXWHVFR-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine (CID 115039140) is 3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine is Cc1ccc(C(CCN)c2nccs2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is GOZPLERBXWHVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-2-4-11(5-3-10)12(6-7-14)13-15-8-9-16-13/h2-5,8-9,12H,6-7,14H2,1H3.
What are the key properties of 3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 115039140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).