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

C15H20N2OS — CID 61169849

IUPAC1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCC(C)Oc1ccccc1C(C)NCc1cscn1
InChIInChI=1S/C15H20N2OS/c1-11(2)18-15-7-5-4-6-14(15)12(3)16-8-13-9-19-10-17-13/h4-7,9-12,16H,8H2,1-3H3
InChIKeyPKXULFJHYDENMS-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.78
Rot. Bonds6

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

1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 61169849) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID61169849
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCC(C)Oc1ccccc1C(C)NCc1cscn1
InChIInChI=1S/C15H20N2OS/c1-11(2)18-15-7-5-4-6-14(15)12(3)16-8-13-9-19-10-17-13/h4-7,9-12,16H,8H2,1-3H3
InChIKeyPKXULFJHYDENMS-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43735008
1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62749077
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
N-[(4-bromothiophen-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43612823
N-(1,3-thiazol-4-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 63829145
4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 64764025
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
(1R)-1-(furan-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81401203
6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol
CID 81396851
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 61169849) is 1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is CC(C)Oc1ccccc1C(C)NCc1cscn1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is PKXULFJHYDENMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(2)18-15-7-5-4-6-14(15)12(3)16-8-13-9-19-10-17-13/h4-7,9-12,16H,8H2,1-3H3.
What are the key properties of 1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 61169849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).