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

C15H20N2S — CID 116968225

IUPAC2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCc1ccc(-c2csc(CCC(C)CN)n2)cc1
InChIInChI=1S/C15H20N2S/c1-11-3-6-13(7-4-11)14-10-18-15(17-14)8-5-12(2)9-16/h3-4,6-7,10,12H,5,8-9,16H2,1-2H3
InChIKeyDFASKAWHXHDFJE-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.65
Rot. Bonds5

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

2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 116968225) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
PubChem CID116968225
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCc1ccc(-c2csc(CCC(C)CN)n2)cc1
InChIInChI=1S/C15H20N2S/c1-11-3-6-13(7-4-11)14-10-18-15(17-14)8-5-12(2)9-16/h3-4,6-7,10,12H,5,8-9,16H2,1-2H3
InChIKeyDFASKAWHXHDFJE-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965129
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968163
4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965140
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 116965093
N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine
CID 82103343
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethylamino]acetic acid
CID 82103135
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of 2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine (CID 116968225) is 2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for 2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for 2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine is Cc1ccc(-c2csc(CCC(C)CN)n2)cc1.
What is the InChIKey of 2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is DFASKAWHXHDFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-3-6-13(7-4-11)14-10-18-15(17-14)8-5-12(2)9-16/h3-4,6-7,10,12H,5,8-9,16H2,1-2H3.
What are the key properties of 2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine?
2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 116968225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).