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

C13H16N2OS — CID 39351015

IUPAC[5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCCOc1ccccc1-c1sc(CN)nc1C
InChIInChI=1S/C13H16N2OS/c1-3-16-11-7-5-4-6-10(11)13-9(2)15-12(8-14)17-13/h4-7H,3,8,14H2,1-2H3
InChIKeyPRPBKOCRAQIBSK-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.98
Rot. Bonds4

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

[5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 39351015) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID39351015
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCCOc1ccccc1-c1sc(CN)nc1C
InChIInChI=1S/C13H16N2OS/c1-3-16-11-7-5-4-6-10(11)13-9(2)15-12(8-14)17-13/h4-7H,3,8,14H2,1-2H3
InChIKeyPRPBKOCRAQIBSK-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)methanamine
CID 39240932
4-(2-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082547
2-ethyl-5-(2-ethylphenyl)-4-methyl-1,3-thiazole
CID 70862263
6-(2-ethoxyphenyl)-2-methylpyridin-3-amine
CID 82467687
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432605
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115534345
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142
[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437246
2-[2-(2-ethoxyphenyl)-1-methylimidazol-4-yl]ethanamine
CID 95457075
2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 61338431
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980399
[4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 165447410

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine (CID 39351015) is [5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine is CCOc1ccccc1-c1sc(CN)nc1C.
What is the InChIKey of [5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is PRPBKOCRAQIBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-16-11-7-5-4-6-10(11)13-9(2)15-12(8-14)17-13/h4-7H,3,8,14H2,1-2H3.
What are the key properties of [5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 39351015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).