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

C11H13ClN2S — CID 131801125

IUPAC[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
SMILESCc1ncsc1-c1ccc(CN)cc1.Cl
InChIInChI=1S/C11H12N2S.ClH/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;/h2-5,7H,6,12H2,1H3;1H
InChIKeyLPTNIIRGFCUEJT-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.00
Rot. Bonds2

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

[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride (PubChem CID 131801125) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
PubChem CID131801125
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
SMILESCc1ncsc1-c1ccc(CN)cc1.Cl
InChIInChI=1S/C11H12N2S.ClH/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;/h2-5,7H,6,12H2,1H3;1H
InChIKeyLPTNIIRGFCUEJT-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride (CID 131801125) is [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride is Cc1ncsc1-c1ccc(CN)cc1.Cl.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride?
The InChIKey is LPTNIIRGFCUEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.ClH/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;/h2-5,7H,6,12H2,1H3;1H.
What are the key properties of [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride?
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride has a molecular weight of 240.76 g/mol, XLogP of 3.00, 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;hydrochloride is sourced from PubChem (CID 131801125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).