4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride

C14H17ClN2O2S — CID 6603188

IUPAC4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride
SMILESC=CCNc1nc(-c2ccc(OC)cc2OC)cs1.Cl
InChIInChI=1S/C14H16N2O2S.ClH/c1-4-7-15-14-16-12(9-19-14)11-6-5-10(17-2)8-13(11)18-3;/h4-6,8-9H,1,7H2,2-3H3,(H,15,16);1H
InChIKeyFGQAKTRLJLGYHD-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.85
Rot. Bonds6

About 4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride

4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 6603188) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID6603188
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride
SMILESC=CCNc1nc(-c2ccc(OC)cc2OC)cs1.Cl
InChIInChI=1S/C14H16N2O2S.ClH/c1-4-7-15-14-16-12(9-19-14)11-6-5-10(17-2)8-13(11)18-3;/h4-6,8-9H,1,7H2,2-3H3,(H,15,16);1H
InChIKeyFGQAKTRLJLGYHD-UHFFFAOYSA-N
XLogP3.85
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.85
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

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CID 159326
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CID 698943
4-(2-Amino-1,3-thiazol-4-yl)benzene-1,3-diol
CID 767450
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490762
4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine
CID 2443333
N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 2620735
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CID 4791502

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride (CID 6603188) is 4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride is C=CCNc1nc(-c2ccc(OC)cc2OC)cs1.Cl.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is FGQAKTRLJLGYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S.ClH/c1-4-7-15-14-16-12(9-19-14)11-6-5-10(17-2)8-13(11)18-3;/h4-6,8-9H,1,7H2,2-3H3,(H,15,16);1H.
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride?
4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 6603188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).