1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine

C15H20N2S — CID 116868218

IUPAC1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCCC(C)c1ccc(-c2nc(CNC)cs2)cc1
InChIInChI=1S/C15H20N2S/c1-4-11(2)12-5-7-13(8-6-12)15-17-14(9-16-3)10-18-15/h5-8,10-11,16H,4,9H2,1-3H3
InChIKeyCQGYVOPJSVGSMG-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.04
Rot. Bonds5

About 1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 116868218) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID116868218
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCCC(C)c1ccc(-c2nc(CNC)cs2)cc1
InChIInChI=1S/C15H20N2S/c1-4-11(2)12-5-7-13(8-6-12)15-17-14(9-16-3)10-18-15/h5-8,10-11,16H,4,9H2,1-3H3
InChIKeyCQGYVOPJSVGSMG-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
1-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 106818197
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpentan-2-amine
CID 61463562
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
1-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61281844
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61280300
(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 9393421
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
N-methyl-1-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61280489
1-[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868245
4-(4-butan-2-ylphenyl)-1,3-thiazole-2-carbonitrile
CID 116966177

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 116868218) is 1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine is CCC(C)c1ccc(-c2nc(CNC)cs2)cc1.
What is the InChIKey of 1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is CQGYVOPJSVGSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-11(2)12-5-7-13(8-6-12)15-17-14(9-16-3)10-18-15/h5-8,10-11,16H,4,9H2,1-3H3.
What are the key properties of 1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 260.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 116868218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).