1,3-thiazole-2-carbonitrile;hydrochloride

C4H3ClN2S — CID 162215282

IUPAC1,3-thiazole-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1nccs1
InChIInChI=1S/C4H2N2S.ClH/c5-3-4-6-1-2-7-4;/h1-2H;1H
InChIKeyZTJMLSHBPRYKEV-UHFFFAOYSA-N
MW146.60 g/mol
LogP1.44
Rot. Bonds

About 1,3-thiazole-2-carbonitrile;hydrochloride

1,3-thiazole-2-carbonitrile;hydrochloride (PubChem CID 162215282) has the molecular formula C4H3ClN2S and a molecular weight of 146.60 g/mol. Its IUPAC name is 1,3-thiazole-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1,3-thiazole-2-carbonitrile;hydrochloride
PubChem CID162215282
Molecular FormulaC4H3ClN2S
Molecular Weight146.60 g/mol
Exact Mass145.97
IUPAC Name1,3-thiazole-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1nccs1
InChIInChI=1S/C4H2N2S.ClH/c5-3-4-6-1-2-7-4;/h1-2H;1H
InChIKeyZTJMLSHBPRYKEV-UHFFFAOYSA-N
XLogP1.44
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.60
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-2-carbonitrile;hydrochloride?
The IUPAC name of 1,3-thiazole-2-carbonitrile;hydrochloride (CID 162215282) is 1,3-thiazole-2-carbonitrile;hydrochloride.
What is the SMILES notation for 1,3-thiazole-2-carbonitrile;hydrochloride?
The canonical SMILES for 1,3-thiazole-2-carbonitrile;hydrochloride is Cl.N#Cc1nccs1.
What is the InChIKey of 1,3-thiazole-2-carbonitrile;hydrochloride?
The InChIKey is ZTJMLSHBPRYKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2S.ClH/c5-3-4-6-1-2-7-4;/h1-2H;1H.
What are the key properties of 1,3-thiazole-2-carbonitrile;hydrochloride?
1,3-thiazole-2-carbonitrile;hydrochloride has a molecular weight of 146.60 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-2-carbonitrile;hydrochloride is sourced from PubChem (CID 162215282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).