4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine

C13H16N2S — CID 869862

IUPAC4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)Cc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C13H16N2S/c1-9(2)7-10-3-5-11(6-4-10)12-8-16-13(14)15-12/h3-6,8-9H,7H2,1-2H3,(H2,14,15)
InChIKeyQHFXFYBCBXWOGR-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.59
Rot. Bonds3

About 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine

4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 869862) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
PubChem CID869862
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)Cc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C13H16N2S/c1-9(2)7-10-3-5-11(6-4-10)12-8-16-13(14)15-12/h3-6,8-9H,7H2,1-2H3,(H2,14,15)
InChIKeyQHFXFYBCBXWOGR-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenyl-5-methylthiazole
CID 96129
4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
2-Amino-4,5-diphenylthiazole
CID 73222
4-(4-Cyanophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole
CID 44442376
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
2-Methyl-4-phenyl-1,3-thiazole
CID 584377
4-(2-Naphthyl)-1,3-thiazol-2-amine
CID 673702

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine (CID 869862) is 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine is CC(C)Cc1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is QHFXFYBCBXWOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9(2)7-10-3-5-11(6-4-10)12-8-16-13(14)15-12/h3-6,8-9H,7H2,1-2H3,(H2,14,15).
What are the key properties of 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 869862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).