3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine

C17H24N2S — CID 103729425

IUPAC3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine
SMILESCc1nc(CCNC(CC(C)C)c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-13(2)11-17(15-7-5-4-6-8-15)18-10-9-16-12-20-14(3)19-16/h4-8,12-13,17-18H,9-11H2,1-3H3
InChIKeyKBJMJSQSTQUNFE-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.37
Rot. Bonds7

About 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine

3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine (PubChem CID 103729425) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine
PubChem CID103729425
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine
SMILESCc1nc(CCNC(CC(C)C)c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-13(2)11-17(15-7-5-4-6-8-15)18-10-9-16-12-20-14(3)19-16/h4-8,12-13,17-18H,9-11H2,1-3H3
InChIKeyKBJMJSQSTQUNFE-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 113246949
1-(3-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 102612414
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777122
1-(4-iodophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777228
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 103777232
4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
CID 81024225
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylpropane-1,3-diamine
CID 106052557
1-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777151
(E)-N-(3-methyl-1-phenylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 16600272
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 103880851
3-methyl-N-(2-methylsulfanylethyl)-1-phenylbutan-1-amine
CID 60697526

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine (CID 103729425) is 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine is Cc1nc(CCNC(CC(C)C)c2ccccc2)cs1.
What is the InChIKey of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is KBJMJSQSTQUNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13(2)11-17(15-7-5-4-6-8-15)18-10-9-16-12-20-14(3)19-16/h4-8,12-13,17-18H,9-11H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine?
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 103729425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).