[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine

C15H20N2OS — CID 82432605

IUPAC[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(-c2ccccc2OCC)sc1CN
InChIInChI=1S/C15H20N2OS/c1-3-7-12-14(10-16)19-15(17-12)11-8-5-6-9-13(11)18-4-2/h5-6,8-9H,3-4,7,10,16H2,1-2H3
InChIKeySZKABPQRUXYJMG-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.62
Rot. Bonds6

About [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82432605) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID82432605
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(-c2ccccc2OCC)sc1CN
InChIInChI=1S/C15H20N2OS/c1-3-7-12-14(10-16)19-15(17-12)11-8-5-6-9-13(11)18-4-2/h5-6,8-9H,3-4,7,10,16H2,1-2H3
InChIKeySZKABPQRUXYJMG-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol
CID 82432604
[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437246
2-(2-ethoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432610
[2-(2-ethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanol
CID 82429992
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441266
2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441153
2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432590
[2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 112706350
1-[4-tert-butyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439166
(E)-3-[2-(2-ethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82430008
[5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine
CID 39351015
[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 106951176

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 82432605) is [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(-c2ccccc2OCC)sc1CN.
What is the InChIKey of [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is SZKABPQRUXYJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-7-12-14(10-16)19-15(17-12)11-8-5-6-9-13(11)18-4-2/h5-6,8-9H,3-4,7,10,16H2,1-2H3.
What are the key properties of [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 276.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82432605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).