4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine

C14H18N2O2S — CID 43141109

IUPAC4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2nc(N)sc2C)cc1OCC
InChIInChI=1S/C14H18N2O2S/c1-4-17-11-7-6-10(8-12(11)18-5-2)13-9(3)19-14(15)16-13/h6-8H,4-5H2,1-3H3,(H2,15,16)
InChIKeyWLFPRCZHVCSCTI-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.50
Rot. Bonds5

About 4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine

4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 43141109) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID43141109
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2nc(N)sc2C)cc1OCC
InChIInChI=1S/C14H18N2O2S/c1-4-17-11-7-6-10(8-12(11)18-5-2)13-9(3)19-14(15)16-13/h6-8H,4-5H2,1-3H3,(H2,15,16)
InChIKeyWLFPRCZHVCSCTI-UHFFFAOYSA-N
XLogP3.50
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine (CID 43141109) is 4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine is CCOc1ccc(-c2nc(N)sc2C)cc1OCC.
What is the InChIKey of 4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is WLFPRCZHVCSCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-17-11-7-6-10(8-12(11)18-5-2)13-9(3)19-14(15)16-13/h6-8H,4-5H2,1-3H3,(H2,15,16).
What are the key properties of 4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 278.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43141109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).