2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine

C9H14N2OS — CID 145298063

IUPAC2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine
SMILESC=C(OCC)c1csc(CCN)n1
InChIInChI=1S/C9H14N2OS/c1-3-12-7(2)8-6-13-9(11-8)4-5-10/h6H,2-5,10H2,1H3
InChIKeyGXZHKKFXSKOQMF-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.65
Rot. Bonds5

About 2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine

2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 145298063) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID145298063
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine
SMILESC=C(OCC)c1csc(CCN)n1
InChIInChI=1S/C9H14N2OS/c1-3-12-7(2)8-6-13-9(11-8)4-5-10/h6H,2-5,10H2,1H3
InChIKeyGXZHKKFXSKOQMF-UHFFFAOYSA-N
XLogP1.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630693
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 81059550
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
CID 116585367
2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389490
3-methylbutyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
CID 66373104
2-(2-aminoethyl)-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616267
2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 120633185
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone
CID 116585460
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,5-dimethylphenyl)ethanone
CID 116585354
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine (CID 145298063) is 2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine is C=C(OCC)c1csc(CCN)n1.
What is the InChIKey of 2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is GXZHKKFXSKOQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-12-7(2)8-6-13-9(11-8)4-5-10/h6H,2-5,10H2,1H3.
What are the key properties of 2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 198.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethoxyethenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 145298063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).