ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride

C6H10ClNO2S — CID 174466202

IUPACethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)N1C=CSC1.Cl
InChIInChI=1S/C6H9NO2S.ClH/c1-2-9-6(8)7-3-4-10-5-7;/h3-4H,2,5H2,1H3;1H
InChIKeyVNGLITCCYMWPPH-UHFFFAOYSA-N
MW195.67 g/mol
LogP2.04
Rot. Bonds1

About ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride

ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride (PubChem CID 174466202) has the molecular formula C6H10ClNO2S and a molecular weight of 195.67 g/mol. Its IUPAC name is ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride
PubChem CID174466202
Molecular FormulaC6H10ClNO2S
Molecular Weight195.67 g/mol
Exact Mass195.01
IUPAC Nameethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)N1C=CSC1.Cl
InChIInChI=1S/C6H9NO2S.ClH/c1-2-9-6(8)7-3-4-10-5-7;/h3-4H,2,5H2,1H3;1H
InChIKeyVNGLITCCYMWPPH-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride (CID 174466202) is ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride is CCOC(=O)N1C=CSC1.Cl.
What is the InChIKey of ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride?
The InChIKey is VNGLITCCYMWPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S.ClH/c1-2-9-6(8)7-3-4-10-5-7;/h3-4H,2,5H2,1H3;1H.
What are the key properties of ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride?
ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride has a molecular weight of 195.67 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 174466202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).