[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride

C11H14Cl2N2S — CID 126766938

IUPAC[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride
SMILESCc1ncsc1-c1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C11H12N2S.2ClH/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;;/h2-5,7H,6,12H2,1H3;2*1H
InChIKeyRVOMTOKXLQIYDC-UHFFFAOYSA-N
MW277.22 g/mol
LogP3.42
Rot. Bonds2

About [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride

[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride (PubChem CID 126766938) has the molecular formula C11H14Cl2N2S and a molecular weight of 277.22 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride
PubChem CID126766938
Molecular FormulaC11H14Cl2N2S
Molecular Weight277.22 g/mol
Exact Mass276.03
IUPAC Name[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride
SMILESCc1ncsc1-c1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C11H12N2S.2ClH/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;;/h2-5,7H,6,12H2,1H3;2*1H
InChIKeyRVOMTOKXLQIYDC-UHFFFAOYSA-N
XLogP3.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride 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-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride?
The IUPAC name of [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride (CID 126766938) is [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride is Cc1ncsc1-c1ccc(CN)cc1.Cl.Cl.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride?
The InChIKey is RVOMTOKXLQIYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.2ClH/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;;/h2-5,7H,6,12H2,1H3;2*1H.
What are the key properties of [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride?
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride has a molecular weight of 277.22 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 126766938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).