2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine

C13H16N2S — CID 82106276

IUPAC2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1cccc(-c2nc(CCN)sc2C)c1
InChIInChI=1S/C13H16N2S/c1-9-4-3-5-11(8-9)13-10(2)16-12(15-13)6-7-14/h3-5,8H,6-7,14H2,1-2H3
InChIKeyNHXDDDDQEBUKCM-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.93
Rot. Bonds3

About 2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine

2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 82106276) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID82106276
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1cccc(-c2nc(CCN)sc2C)c1
InChIInChI=1S/C13H16N2S/c1-9-4-3-5-11(8-9)13-10(2)16-12(15-13)6-7-14/h3-5,8H,6-7,14H2,1-2H3
InChIKeyNHXDDDDQEBUKCM-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-cyclopentyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106625
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 116867830
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106460
2-[5-methyl-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 82106393
2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 105454374
N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 130556985
2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 82069588
4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole
CID 79840119
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 112583390

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine (CID 82106276) is 2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine is Cc1cccc(-c2nc(CCN)sc2C)c1.
What is the InChIKey of 2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is NHXDDDDQEBUKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-4-3-5-11(8-9)13-10(2)16-12(15-13)6-7-14/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of 2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 232.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 82106276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).