1,3-thiazol-4-amine;hydrochloride

C3H5ClN2S — CID 68841472

IUPAC1,3-thiazol-4-amine;hydrochloride
SMILESCl.Nc1cscn1
InChIInChI=1S/C3H4N2S.ClH/c4-3-1-6-2-5-3;/h1-2H,4H2;1H
InChIKeyQBBARGGAFRDZBC-UHFFFAOYSA-N
MW136.61 g/mol
LogP1.15
Rot. Bonds

About 1,3-thiazol-4-amine;hydrochloride

1,3-thiazol-4-amine;hydrochloride (PubChem CID 68841472) has the molecular formula C3H5ClN2S and a molecular weight of 136.61 g/mol. Its IUPAC name is 1,3-thiazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1,3-thiazol-4-amine;hydrochloride
PubChem CID68841472
Molecular FormulaC3H5ClN2S
Molecular Weight136.61 g/mol
Exact Mass135.99
IUPAC Name1,3-thiazol-4-amine;hydrochloride
SMILESCl.Nc1cscn1
InChIInChI=1S/C3H4N2S.ClH/c4-3-1-6-2-5-3;/h1-2H,4H2;1H
InChIKeyQBBARGGAFRDZBC-UHFFFAOYSA-N
XLogP1.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.61
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-amine;hydrochloride?
The IUPAC name of 1,3-thiazol-4-amine;hydrochloride (CID 68841472) is 1,3-thiazol-4-amine;hydrochloride.
What is the SMILES notation for 1,3-thiazol-4-amine;hydrochloride?
The canonical SMILES for 1,3-thiazol-4-amine;hydrochloride is Cl.Nc1cscn1.
What is the InChIKey of 1,3-thiazol-4-amine;hydrochloride?
The InChIKey is QBBARGGAFRDZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.ClH/c4-3-1-6-2-5-3;/h1-2H,4H2;1H.
What are the key properties of 1,3-thiazol-4-amine;hydrochloride?
1,3-thiazol-4-amine;hydrochloride has a molecular weight of 136.61 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-amine;hydrochloride is sourced from PubChem (CID 68841472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).