1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine

C16H22N2S — CID 63242464

IUPAC1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCC(C)c1ccc(C(C)NCCc2nccs2)cc1
InChIInChI=1S/C16H22N2S/c1-12(2)14-4-6-15(7-5-14)13(3)17-9-8-16-18-10-11-19-16/h4-7,10-13,17H,8-9H2,1-3H3
InChIKeyIOLBSXCPJHNOAT-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.16
Rot. Bonds6

About 1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine

1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 63242464) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID63242464
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCC(C)c1ccc(C(C)NCCc2nccs2)cc1
InChIInChI=1S/C16H22N2S/c1-12(2)14-4-6-15(7-5-14)13(3)17-9-8-16-18-10-11-19-16/h4-7,10-13,17H,8-9H2,1-3H3
InChIKeyIOLBSXCPJHNOAT-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618
1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63241921
1-(4-propan-2-yloxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242424
1-(3-chloro-4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242017
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242335
2-[1-[2-(1,3-thiazol-2-yl)ethylamino]ethyl]phenol
CID 63241920
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284818
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
1-(1-benzothiophen-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 114909896
4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol
CID 63242196
1-(2,4-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55174442

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine (CID 63242464) is 1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine is CC(C)c1ccc(C(C)NCCc2nccs2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is IOLBSXCPJHNOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(2)14-4-6-15(7-5-14)13(3)17-9-8-16-18-10-11-19-16/h4-7,10-13,17H,8-9H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 63242464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).