3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine

C15H20N2S — CID 116965045

IUPAC3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCc1ccc(C)c(-c2csc(C(C)CCN)n2)c1
InChIInChI=1S/C15H20N2S/c1-10-4-5-11(2)13(8-10)14-9-18-15(17-14)12(3)6-7-16/h4-5,8-9,12H,6-7,16H2,1-3H3
InChIKeyWLKLSDZIDWAEOH-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.88
Rot. Bonds4

About 3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine

3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 116965045) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine
PubChem CID116965045
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCc1ccc(C)c(-c2csc(C(C)CCN)n2)c1
InChIInChI=1S/C15H20N2S/c1-10-4-5-11(2)13(8-10)14-9-18-15(17-14)12(3)6-7-16/h4-5,8-9,12H,6-7,16H2,1-3H3
InChIKeyWLKLSDZIDWAEOH-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61339037
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 82121806
3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965075
3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine
CID 116892969
3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965041
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965066
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965067
O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39351081
1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867576
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
N-[(1S)-1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 95772810
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole
CID 116965302

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of 3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine (CID 116965045) is 3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for 3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for 3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine is Cc1ccc(C)c(-c2csc(C(C)CCN)n2)c1.
What is the InChIKey of 3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is WLKLSDZIDWAEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-4-5-11(2)13(8-10)14-9-18-15(17-14)12(3)6-7-16/h4-5,8-9,12H,6-7,16H2,1-3H3.
What are the key properties of 3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 116965045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).