3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine

C15H20N2S — CID 116888287

IUPAC3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine
SMILESCc1ccc(-c2nc(CCCN)cs2)c(C)c1C
InChIInChI=1S/C15H20N2S/c1-10-6-7-14(12(3)11(10)2)15-17-13(9-18-15)5-4-8-16/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyXBBCNYFFJJHRPQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.63
Rot. Bonds4

About 3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine

3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 116888287) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine
PubChem CID116888287
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine
SMILESCc1ccc(-c2nc(CCCN)cs2)c(C)c1C
InChIInChI=1S/C15H20N2S/c1-10-6-7-14(12(3)11(10)2)15-17-13(9-18-15)5-4-8-16/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyXBBCNYFFJJHRPQ-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 116868210
3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888275
2-amino-1-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]ethanol
CID 116890712
2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888112
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888272
N-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864476
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089134
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 116888293
3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889146

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine (CID 116888287) is 3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine is Cc1ccc(-c2nc(CCCN)cs2)c(C)c1C.
What is the InChIKey of 3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is XBBCNYFFJJHRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-6-7-14(12(3)11(10)2)15-17-13(9-18-15)5-4-8-16/h6-7,9H,4-5,8,16H2,1-3H3.
What are the key properties of 3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine?
3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 116888287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).