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

C13H16N2S — CID 112642897

IUPAC1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCc1cccc(CC(N)Cc2cncs2)c1
InChIInChI=1S/C13H16N2S/c1-10-3-2-4-11(5-10)6-12(14)7-13-8-15-9-16-13/h2-5,8-9,12H,6-7,14H2,1H3
InChIKeyABOCLAJSRIJCMB-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.56
Rot. Bonds4

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

1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 112642897) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID112642897
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCc1cccc(CC(N)Cc2cncs2)c1
InChIInChI=1S/C13H16N2S/c1-10-3-2-4-11(5-10)6-12(14)7-13-8-15-9-16-13/h2-5,8-9,12H,6-7,14H2,1H3
InChIKeyABOCLAJSRIJCMB-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]-1,3-thiazole
CID 112645336
[4-(3-methylphenyl)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105332141
1-pyridin-4-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642945
1-(3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641878
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-(1-benzothiophen-3-yl)-3-(3-methylphenyl)propan-2-amine
CID 63737079
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112643958
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine (CID 112642897) is 1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine is Cc1cccc(CC(N)Cc2cncs2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is ABOCLAJSRIJCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-3-2-4-11(5-10)6-12(14)7-13-8-15-9-16-13/h2-5,8-9,12H,6-7,14H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine?
1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 232.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 112642897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).