methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride

C5H9Cl2NO2S — CID 174497510

IUPACmethyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride
SMILESCOC(=O)N1C=CSC1.Cl.Cl
InChIInChI=1S/C5H7NO2S.2ClH/c1-8-5(7)6-2-3-9-4-6;;/h2-3H,4H2,1H3;2*1H
InChIKeyUVLGGQDIRPSXHI-UHFFFAOYSA-N
MW218.10 g/mol
LogP2.07
Rot. Bonds

About methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride

methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride (PubChem CID 174497510) has the molecular formula C5H9Cl2NO2S and a molecular weight of 218.10 g/mol. Its IUPAC name is methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride
PubChem CID174497510
Molecular FormulaC5H9Cl2NO2S
Molecular Weight218.10 g/mol
Exact Mass216.97
IUPAC Namemethyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride
SMILESCOC(=O)N1C=CSC1.Cl.Cl
InChIInChI=1S/C5H7NO2S.2ClH/c1-8-5(7)6-2-3-9-4-6;;/h2-3H,4H2,1H3;2*1H
InChIKeyUVLGGQDIRPSXHI-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride?
The IUPAC name of methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride (CID 174497510) is methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride.
What is the SMILES notation for methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride?
The canonical SMILES for methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride is COC(=O)N1C=CSC1.Cl.Cl.
What is the InChIKey of methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride?
The InChIKey is UVLGGQDIRPSXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S.2ClH/c1-8-5(7)6-2-3-9-4-6;;/h2-3H,4H2,1H3;2*1H.
What are the key properties of methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride?
methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride has a molecular weight of 218.10 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride is sourced from PubChem (CID 174497510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).