4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine

C17H24N2S — CID 81024225

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
SMILESCc1nc(CCC(CNC(C)C)c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-13(2)18-11-16(15-7-5-4-6-8-15)9-10-17-12-20-14(3)19-17/h4-8,12-13,16,18H,9-11H2,1-3H3
InChIKeyUZKCYYXWCLMDDD-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.17
Rot. Bonds7

About 4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine

4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine (PubChem CID 81024225) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
PubChem CID81024225
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
SMILESCc1nc(CCC(CNC(C)C)c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-13(2)18-11-16(15-7-5-4-6-8-15)9-10-17-12-20-14(3)19-17/h4-8,12-13,16,18H,9-11H2,1-3H3
InChIKeyUZKCYYXWCLMDDD-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
CID 81024822
2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79441055
2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 65430973
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine
CID 103729425
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylpropane-1,3-diamine
CID 106052557
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
1-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777151
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
1-(3-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 113246949
(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol
CID 124758426
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777122
1-(furan-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777253

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine (CID 81024225) is 4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine is Cc1nc(CCC(CNC(C)C)c2ccccc2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine?
The InChIKey is UZKCYYXWCLMDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13(2)18-11-16(15-7-5-4-6-8-15)9-10-17-12-20-14(3)19-17/h4-8,12-13,16,18H,9-11H2,1-3H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine?
4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81024225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).