2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine

C13H16N2S — CID 82475382

IUPAC2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine
SMILESCc1nc(-c2cc(C)c(C)cc2C)c(N)s1
InChIInChI=1S/C13H16N2S/c1-7-5-9(3)11(6-8(7)2)12-13(14)16-10(4)15-12/h5-6H,14H2,1-4H3
InChIKeyWYGGHNXGCLSENI-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.63
Rot. Bonds1

About 2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine

2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine (PubChem CID 82475382) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine
PubChem CID82475382
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine
SMILESCc1nc(-c2cc(C)c(C)cc2C)c(N)s1
InChIInChI=1S/C13H16N2S/c1-7-5-9(3)11(6-8(7)2)12-13(14)16-10(4)15-12/h5-6H,14H2,1-4H3
InChIKeyWYGGHNXGCLSENI-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82480345
4-(4-tert-butyl-2-methylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82484831
4-(5-tert-butyl-2-methylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82484825
2-(5-amino-2-methyl-1,3-thiazol-4-yl)phenol
CID 84779153
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
4-(2-chlorophenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082381
4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082559
3-methyl-6-(2,4,5-trimethylphenyl)-1,2,4-triazin-5-amine
CID 116823472
4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine
CID 82485977
2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 93189901
2-methyl-4-(4-phenylphenyl)-1,3-thiazol-5-amine
CID 62082548
4-(2-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082547

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine (CID 82475382) is 2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine is Cc1nc(-c2cc(C)c(C)cc2C)c(N)s1.
What is the InChIKey of 2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine?
The InChIKey is WYGGHNXGCLSENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-7-5-9(3)11(6-8(7)2)12-13(14)16-10(4)15-12/h5-6H,14H2,1-4H3.
What are the key properties of 2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine?
2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine has a molecular weight of 232.35 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 82475382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).