3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

C15H20N2S — CID 116965093

IUPAC3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCc1ccc(-c2csc(CC(C)CN)n2)c(C)c1
InChIInChI=1S/C15H20N2S/c1-10-4-5-13(12(3)6-10)14-9-18-15(17-14)7-11(2)8-16/h4-6,9,11H,7-8,16H2,1-3H3
InChIKeyFUXSEQQIEBFMHS-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.56
Rot. Bonds4

About 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (PubChem CID 116965093) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
PubChem CID116965093
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCc1ccc(-c2csc(CC(C)CN)n2)c(C)c1
InChIInChI=1S/C15H20N2S/c1-10-4-5-13(12(3)6-10)14-9-18-15(17-14)7-11(2)8-16/h4-6,9,11H,7-8,16H2,1-3H3
InChIKeyFUXSEQQIEBFMHS-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964953
4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969941
4-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 55027261
2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968225
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 82121806
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
4-(2,4-dimethylphenyl)-2-methoxy-1,3-thiazole
CID 116967726
2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965082
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653041
methyl 2-[2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetate
CID 2798600
2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963723
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (CID 116965093) is 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is Cc1ccc(-c2csc(CC(C)CN)n2)c(C)c1.
What is the InChIKey of 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is FUXSEQQIEBFMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-4-5-13(12(3)6-10)14-9-18-15(17-14)7-11(2)8-16/h4-6,9,11H,7-8,16H2,1-3H3.
What are the key properties of 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116965093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).