4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride

C12H16ClN3S — CID 11834400

IUPAC4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESC=CCn1c(C)cc(-c2csc(N)n2)c1C.Cl
InChIInChI=1S/C12H15N3S.ClH/c1-4-5-15-8(2)6-10(9(15)3)11-7-16-12(13)14-11;/h4,6-7H,1,5H2,2-3H3,(H2,13,14);1H
InChIKeyMCDICNBEEALVGB-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.42
Rot. Bonds3

About 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride

4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 11834400) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID11834400
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESC=CCn1c(C)cc(-c2csc(N)n2)c1C.Cl
InChIInChI=1S/C12H15N3S.ClH/c1-4-5-15-8(2)6-10(9(15)3)11-7-16-12(13)14-11;/h4,6-7H,1,5H2,2-3H3,(H2,13,14);1H
InChIKeyMCDICNBEEALVGB-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride (CID 11834400) is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride is C=CCn1c(C)cc(-c2csc(N)n2)c1C.Cl.
What is the InChIKey of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is MCDICNBEEALVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S.ClH/c1-4-5-15-8(2)6-10(9(15)3)11-7-16-12(13)14-11;/h4,6-7H,1,5H2,2-3H3,(H2,13,14);1H.
What are the key properties of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride?
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 11834400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).