N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine

C15H18N2O2S — CID 2214185

IUPACN-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESC=CCOc1ccc(CNc2nccs2)cc1OCC
InChIInChI=1S/C15H18N2O2S/c1-3-8-19-13-6-5-12(10-14(13)18-4-2)11-17-15-16-7-9-20-15/h3,5-7,9-10H,1,4,8,11H2,2H3,(H,16,17)
InChIKeyBCBQXNQAYNIRCY-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.72
Rot. Bonds8

About N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine

N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 2214185) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID2214185
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESC=CCOc1ccc(CNc2nccs2)cc1OCC
InChIInChI=1S/C15H18N2O2S/c1-3-8-19-13-6-5-12(10-14(13)18-4-2)11-17-15-16-7-9-20-15/h3,5-7,9-10H,1,4,8,11H2,2H3,(H,16,17)
InChIKeyBCBQXNQAYNIRCY-UHFFFAOYSA-N
XLogP3.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Zolamine
CID 14387
N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 578640
Thiourea, N-(2-(2,5-dimethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001089
Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001092
Thiourea, N-(2-(3-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001165
1-[2-(4-Methoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3001166
Thiourea, N-(2-(3-ethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001172
Thiourea, N-(2-(3-propoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001084
Thiourea, N-(2-(3-(1-methylethoxy)phenyl)ethyl)-N'-2-thiazolyl-
CID 3001085
2-Methoxy-6-(thiazol-2-ylaminomethyl)-phenol
CID 753631
3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)propanamide
CID 2118575
(4-Allyloxy-3-chloro-5-methoxy-benzyl)-thiazol-2-yl-amine
CID 2214994

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 2214185) is N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine is C=CCOc1ccc(CNc2nccs2)cc1OCC.
What is the InChIKey of N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is BCBQXNQAYNIRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-8-19-13-6-5-12(10-14(13)18-4-2)11-17-15-16-7-9-20-15/h3,5-7,9-10H,1,4,8,11H2,2H3,(H,16,17).
What are the key properties of N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine?
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 290.39 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2214185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).