2H-1,3-thiazole-3-carboxamide;dihydrochloride

C4H8Cl2N2OS — CID 69153945

IUPAC2H-1,3-thiazole-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)N1C=CSC1
InChIInChI=1S/C4H6N2OS.2ClH/c5-4(7)6-1-2-8-3-6;;/h1-2H,3H2,(H2,5,7);2*1H
InChIKeyPMJOWGHWQYCLHR-UHFFFAOYSA-N
MW203.09 g/mol
LogP1.39
Rot. Bonds

About 2H-1,3-thiazole-3-carboxamide;dihydrochloride

2H-1,3-thiazole-3-carboxamide;dihydrochloride (PubChem CID 69153945) has the molecular formula C4H8Cl2N2OS and a molecular weight of 203.09 g/mol. Its IUPAC name is 2H-1,3-thiazole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2H-1,3-thiazole-3-carboxamide;dihydrochloride
PubChem CID69153945
Molecular FormulaC4H8Cl2N2OS
Molecular Weight203.09 g/mol
Exact Mass201.97
IUPAC Name2H-1,3-thiazole-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)N1C=CSC1
InChIInChI=1S/C4H6N2OS.2ClH/c5-4(7)6-1-2-8-3-6;;/h1-2H,3H2,(H2,5,7);2*1H
InChIKeyPMJOWGHWQYCLHR-UHFFFAOYSA-N
XLogP1.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.09
LogP ≤ 51.39
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-carboxamide;dihydrochloride?
The IUPAC name of 2H-1,3-thiazole-3-carboxamide;dihydrochloride (CID 69153945) is 2H-1,3-thiazole-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2H-1,3-thiazole-3-carboxamide;dihydrochloride?
The canonical SMILES for 2H-1,3-thiazole-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)N1C=CSC1.
What is the InChIKey of 2H-1,3-thiazole-3-carboxamide;dihydrochloride?
The InChIKey is PMJOWGHWQYCLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS.2ClH/c5-4(7)6-1-2-8-3-6;;/h1-2H,3H2,(H2,5,7);2*1H.
What are the key properties of 2H-1,3-thiazole-3-carboxamide;dihydrochloride?
2H-1,3-thiazole-3-carboxamide;dihydrochloride has a molecular weight of 203.09 g/mol, XLogP of 1.39, 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-carboxamide;dihydrochloride is sourced from PubChem (CID 69153945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).