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

C15H20N2S — CID 116884799

IUPAC3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCc1ccccc1-c1nc(C)c(C(C)CCN)s1
InChIInChI=1S/C15H20N2S/c1-10-6-4-5-7-13(10)15-17-12(3)14(18-15)11(2)8-9-16/h4-7,11H,8-9,16H2,1-3H3
InChIKeySOHCUEPTNCBLFO-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.88
Rot. Bonds4

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

3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 116884799) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID116884799
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCc1ccccc1-c1nc(C)c(C(C)CCN)s1
InChIInChI=1S/C15H20N2S/c1-10-6-4-5-7-13(10)15-17-12(3)14(18-15)11(2)8-9-16/h4-7,11H,8-9,16H2,1-3H3
InChIKeySOHCUEPTNCBLFO-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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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of 3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine (CID 116884799) is 3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for 3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for 3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine is Cc1ccccc1-c1nc(C)c(C(C)CCN)s1.
What is the InChIKey of 3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is SOHCUEPTNCBLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-6-4-5-7-13(10)15-17-12(3)14(18-15)11(2)8-9-16/h4-7,11H,8-9,16H2,1-3H3.
What are the key properties of 3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine?
3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-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-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 116884799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).