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

C15H20N2S — CID 116964953

IUPAC1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
SMILESCc1ccc(-c2csc(CC(C)(C)N)n2)c(C)c1
InChIInChI=1S/C15H20N2S/c1-10-5-6-12(11(2)7-10)13-9-18-14(17-13)8-15(3,4)16/h5-7,9H,8,16H2,1-4H3
InChIKeyBHXFPIJFOHRRDI-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.71
Rot. Bonds3

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

1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine (PubChem CID 116964953) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
PubChem CID116964953
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
SMILESCc1ccc(-c2csc(CC(C)(C)N)n2)c(C)c1
InChIInChI=1S/C15H20N2S/c1-10-5-6-12(11(2)7-10)13-9-18-14(17-13)8-15(3,4)16/h5-7,9H,8,16H2,1-4H3
InChIKeyBHXFPIJFOHRRDI-UHFFFAOYSA-N
XLogP3.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969941
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 116965093
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964955
2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963723
[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966908
4-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 55027261
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
4-(2,4-dimethylphenyl)-2-methoxy-1,3-thiazole
CID 116967726
4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2059129
4-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 82059186
methyl 2-[2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetate
CID 2798600
4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962177

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine (CID 116964953) is 1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine is Cc1ccc(-c2csc(CC(C)(C)N)n2)c(C)c1.
What is the InChIKey of 1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine?
The InChIKey is BHXFPIJFOHRRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-5-6-12(11(2)7-10)13-9-18-14(17-13)8-15(3,4)16/h5-7,9H,8,16H2,1-4H3.
What are the key properties of 1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine?
1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 116964953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).