N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride

C6H11ClN2S — CID 119031798

IUPACN-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride
SMILESCCNCc1nccs1.Cl
InChIInChI=1S/C6H10N2S.ClH/c1-2-7-5-6-8-3-4-9-6;/h3-4,7H,2,5H2,1H3;1H
InChIKeyBZXINHNZDANLEZ-UHFFFAOYSA-N
MW178.69 g/mol
LogP1.67
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride

N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride (PubChem CID 119031798) has the molecular formula C6H11ClN2S and a molecular weight of 178.69 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride
PubChem CID119031798
Molecular FormulaC6H11ClN2S
Molecular Weight178.69 g/mol
Exact Mass178.03
IUPAC NameN-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride
SMILESCCNCc1nccs1.Cl
InChIInChI=1S/C6H10N2S.ClH/c1-2-7-5-6-8-3-4-9-6;/h3-4,7H,2,5H2,1H3;1H
InChIKeyBZXINHNZDANLEZ-UHFFFAOYSA-N
XLogP1.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.69
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride (CID 119031798) is N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride is CCNCc1nccs1.Cl.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride?
The InChIKey is BZXINHNZDANLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.ClH/c1-2-7-5-6-8-3-4-9-6;/h3-4,7H,2,5H2,1H3;1H.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride?
N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride has a molecular weight of 178.69 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 119031798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).