1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C15H20N2S — CID 61285618

IUPAC1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCc2nccs2)cc1
InChIInChI=1S/C15H20N2S/c1-11(2)13-4-6-14(7-5-13)12(3)17-10-15-16-8-9-18-15/h4-9,11-12,17H,10H2,1-3H3
InChIKeyXTBWDKOKLJTHJQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.12
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 61285618) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID61285618
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCc2nccs2)cc1
InChIInChI=1S/C15H20N2S/c1-11(2)13-4-6-14(7-5-13)12(3)17-10-15-16-8-9-18-15/h4-9,11-12,17H,10H2,1-3H3
InChIKeyXTBWDKOKLJTHJQ-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
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-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242464
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 61286204
5-[1-(1,3-thiazol-2-ylmethylamino)ethyl]benzene-1,3-diol
CID 107706299
1-(5-chlorothiophen-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 102976449
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
(1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81377691
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284444
(1S)-1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81403465

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 61285618) is 1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is CC(C)c1ccc(C(C)NCc2nccs2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is XTBWDKOKLJTHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(2)13-4-6-14(7-5-13)12(3)17-10-15-16-8-9-18-15/h4-9,11-12,17H,10H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 260.41 g/mol, XLogP of 4.12, 5 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-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 61285618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).