2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine

C16H22N2OS — CID 82066801

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)Cc2nc(C)c(C)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-4-9-19-14-7-5-13(6-8-14)15(17)10-16-18-11(2)12(3)20-16/h5-8,15H,4,9-10,17H2,1-3H3
InChIKeyARLZVRPMWLDOQS-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.79
Rot. Bonds6

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 82066801) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine
PubChem CID82066801
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)Cc2nc(C)c(C)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-4-9-19-14-7-5-13(6-8-14)15(17)10-16-18-11(2)12(3)20-16/h5-8,15H,4,9-10,17H2,1-3H3
InChIKeyARLZVRPMWLDOQS-UHFFFAOYSA-N
XLogP3.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 82066800
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019755
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 82066802
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
CID 64650253
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105019640
1-(4-bromo-3-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019849
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
1-(2,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019863

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine (CID 82066801) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)Cc2nc(C)c(C)s2)cc1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is ARLZVRPMWLDOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-9-19-14-7-5-13(6-8-14)15(17)10-16-18-11(2)12(3)20-16/h5-8,15H,4,9-10,17H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 82066801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).