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

C17H24N2S — CID 81024822

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
SMILESCc1csc(CCC(CNC(C)C)c2ccccc2)n1
InChIInChI=1S/C17H24N2S/c1-13(2)18-11-16(15-7-5-4-6-8-15)9-10-17-19-14(3)12-20-17/h4-8,12-13,16,18H,9-11H2,1-3H3
InChIKeyQLVGIDKMHQFFNP-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.17
Rot. Bonds7

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

4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine (PubChem CID 81024822) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
PubChem CID81024822
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
SMILESCc1csc(CCC(CNC(C)C)c2ccccc2)n1
InChIInChI=1S/C17H24N2S/c1-13(2)18-11-16(15-7-5-4-6-8-15)9-10-17-19-14(3)12-20-17/h4-8,12-13,16,18H,9-11H2,1-3H3
InChIKeyQLVGIDKMHQFFNP-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-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
CID 81024225
2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 65430973
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutan-1-amine
CID 63242419
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine
CID 63238783
4-methyl-2-(3-methylbutyl)-1,3-thiazole
CID 115641470
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929723
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
2-phenyl-N-propan-2-ylundecan-1-amine
CID 65429308
2-methyl-1-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111343518
4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 63238721
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 78992240

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine (CID 81024822) is 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine is Cc1csc(CCC(CNC(C)C)c2ccccc2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine?
The InChIKey is QLVGIDKMHQFFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13(2)18-11-16(15-7-5-4-6-8-15)9-10-17-19-14(3)12-20-17/h4-8,12-13,16,18H,9-11H2,1-3H3.
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine?
4-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81024822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).