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

C13H16N2S — CID 62653041

IUPAC1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCc1cccc(-c2csc(CC(C)N)n2)c1
InChIInChI=1S/C13H16N2S/c1-9-4-3-5-11(6-9)12-8-16-13(15-12)7-10(2)14/h3-6,8,10H,7,14H2,1-2H3
InChIKeyLRGJMYUHAIHSQE-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.01
Rot. Bonds3

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

1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 62653041) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
PubChem CID62653041
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCc1cccc(-c2csc(CC(C)N)n2)c1
InChIInChI=1S/C13H16N2S/c1-9-4-3-5-11(6-9)12-8-16-13(15-12)7-10(2)14/h3-6,8,10H,7,14H2,1-2H3
InChIKeyLRGJMYUHAIHSQE-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62653588
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115039739
2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966783
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
N'-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]heptanediamide
CID 171617300
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652676
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
1-(5-methyl-3-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164429
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652862
[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66381486
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine (CID 62653041) is 1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine is Cc1cccc(-c2csc(CC(C)N)n2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is LRGJMYUHAIHSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-4-3-5-11(6-9)12-8-16-13(15-12)7-10(2)14/h3-6,8,10H,7,14H2,1-2H3.
What are the key properties of 1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 62653041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).