[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine

C15H20N2S — CID 39360934

IUPAC[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
SMILESCCc1ccc(-c2nc(CN)sc2C(C)C)cc1
InChIInChI=1S/C15H20N2S/c1-4-11-5-7-12(8-6-11)14-15(10(2)3)18-13(9-16)17-14/h5-8,10H,4,9,16H2,1-3H3
InChIKeyOUYTYUYLHITIPG-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.95
Rot. Bonds4

About [4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine

[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine (PubChem CID 39360934) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is [4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
PubChem CID39360934
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
SMILESCCc1ccc(-c2nc(CN)sc2C(C)C)cc1
InChIInChI=1S/C15H20N2S/c1-4-11-5-7-12(8-6-11)14-15(10(2)3)18-13(9-16)17-14/h5-8,10H,4,9,16H2,1-3H3
InChIKeyOUYTYUYLHITIPG-UHFFFAOYSA-N
XLogP3.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 28864528
(5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106559
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665
2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine
CID 82106871
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446
2-(chloromethyl)-4-phenyl-5-propan-2-yl-1,3-thiazole
CID 62921644
[4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106774
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 55102196
[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine
CID 39373614
2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine
CID 82106779
[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054609
[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82284727

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine (CID 39360934) is [4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine is CCc1ccc(-c2nc(CN)sc2C(C)C)cc1.
What is the InChIKey of [4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The InChIKey is OUYTYUYLHITIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-11-5-7-12(8-6-11)14-15(10(2)3)18-13(9-16)17-14/h5-8,10H,4,9,16H2,1-3H3.
What are the key properties of [4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 39360934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).