2H-1,3-thiazole-3-carboxylic acid;dihydrochloride

C4H7Cl2NO2S — CID 69153549

IUPAC2H-1,3-thiazole-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)N1C=CSC1
InChIInChI=1S/C4H5NO2S.2ClH/c6-4(7)5-1-2-8-3-5;;/h1-2H,3H2,(H,6,7);2*1H
InChIKeyMCBPQTYZGKPWPU-UHFFFAOYSA-N
MW204.08 g/mol
LogP1.99
Rot. Bonds

About 2H-1,3-thiazole-3-carboxylic acid;dihydrochloride

2H-1,3-thiazole-3-carboxylic acid;dihydrochloride (PubChem CID 69153549) has the molecular formula C4H7Cl2NO2S and a molecular weight of 204.08 g/mol. Its IUPAC name is 2H-1,3-thiazole-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name2H-1,3-thiazole-3-carboxylic acid;dihydrochloride
PubChem CID69153549
Molecular FormulaC4H7Cl2NO2S
Molecular Weight204.08 g/mol
Exact Mass202.96
IUPAC Name2H-1,3-thiazole-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)N1C=CSC1
InChIInChI=1S/C4H5NO2S.2ClH/c6-4(7)5-1-2-8-3-5;;/h1-2H,3H2,(H,6,7);2*1H
InChIKeyMCBPQTYZGKPWPU-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.08
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-1,3-thiazole-3-carboxylic acid;dihydrochloride?
The IUPAC name of 2H-1,3-thiazole-3-carboxylic acid;dihydrochloride (CID 69153549) is 2H-1,3-thiazole-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for 2H-1,3-thiazole-3-carboxylic acid;dihydrochloride?
The canonical SMILES for 2H-1,3-thiazole-3-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)N1C=CSC1.
What is the InChIKey of 2H-1,3-thiazole-3-carboxylic acid;dihydrochloride?
The InChIKey is MCBPQTYZGKPWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S.2ClH/c6-4(7)5-1-2-8-3-5;;/h1-2H,3H2,(H,6,7);2*1H.
What are the key properties of 2H-1,3-thiazole-3-carboxylic acid;dihydrochloride?
2H-1,3-thiazole-3-carboxylic acid;dihydrochloride has a molecular weight of 204.08 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,3-thiazole-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 69153549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).