2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride

C5H6ClN3S — CID 71758598

IUPAC2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride
SMILESCc1nc(N)sc1C#N.Cl
InChIInChI=1S/C5H5N3S.ClH/c1-3-4(2-6)9-5(7)8-3;/h1H3,(H2,7,8);1H
InChIKeyMXFCFXQFRNMFJA-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.33
Rot. Bonds

About 2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride

2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride (PubChem CID 71758598) has the molecular formula C5H6ClN3S and a molecular weight of 175.64 g/mol. Its IUPAC name is 2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride
PubChem CID71758598
Molecular FormulaC5H6ClN3S
Molecular Weight175.64 g/mol
Exact Mass175.00
IUPAC Name2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride
SMILESCc1nc(N)sc1C#N.Cl
InChIInChI=1S/C5H5N3S.ClH/c1-3-4(2-6)9-5(7)8-3;/h1H3,(H2,7,8);1H
InChIKeyMXFCFXQFRNMFJA-UHFFFAOYSA-N
XLogP1.33
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride?
The IUPAC name of 2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride (CID 71758598) is 2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride?
The canonical SMILES for 2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride is Cc1nc(N)sc1C#N.Cl.
What is the InChIKey of 2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride?
The InChIKey is MXFCFXQFRNMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S.ClH/c1-3-4(2-6)9-5(7)8-3;/h1H3,(H2,7,8);1H.
What are the key properties of 2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride?
2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride has a molecular weight of 175.64 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1,3-thiazole-5-carbonitrile;hydrochloride is sourced from PubChem (CID 71758598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).