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

C13H16N2S — CID 62795308

IUPAC1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cccc(C(N)Cc2nc(C)cs2)c1
InChIInChI=1S/C13H16N2S/c1-9-4-3-5-11(6-9)12(14)7-13-15-10(2)8-16-13/h3-6,8,12H,7,14H2,1-2H3
InChIKeyHRJDKHAJPNHOOV-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.00
Rot. Bonds3

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

1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 62795308) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID62795308
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cccc(C(N)Cc2nc(C)cs2)c1
InChIInChI=1S/C13H16N2S/c1-9-4-3-5-11(6-9)12(14)7-13-15-10(2)8-16-13/h3-6,8,12H,7,14H2,1-2H3
InChIKeyHRJDKHAJPNHOOV-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-iodophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019204
1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019497
N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796536
1-(4-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796349
1-(2-bromo-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019465
4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 112694962
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64989653
[1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105194644
1-(3-chlorothiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019424
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine
CID 81231313
1-(2,4-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066949
1-(5-chloro-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019329

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 62795308) is 1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1cccc(C(N)Cc2nc(C)cs2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is HRJDKHAJPNHOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-4-3-5-11(6-9)12(14)7-13-15-10(2)8-16-13/h3-6,8,12H,7,14H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 62795308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).