methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate

C6H7NO2S2 — CID 168792607

IUPACmethyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(SC)s1
InChIInChI=1S/C6H7NO2S2/c1-9-6(8)5-7-3-4(10-2)11-5/h3H,1-2H3
InChIKeyHZMDBXNAEINWTF-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.65
Rot. Bonds2

About methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate

methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate (PubChem CID 168792607) has the molecular formula C6H7NO2S2 and a molecular weight of 189.26 g/mol. Its IUPAC name is methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate
PubChem CID168792607
Molecular FormulaC6H7NO2S2
Molecular Weight189.26 g/mol
Exact Mass188.99
IUPAC Namemethyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(SC)s1
InChIInChI=1S/C6H7NO2S2/c1-9-6(8)5-7-3-4(10-2)11-5/h3H,1-2H3
InChIKeyHZMDBXNAEINWTF-UHFFFAOYSA-N
XLogP1.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate (CID 168792607) is methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate is COC(=O)c1ncc(SC)s1.
What is the InChIKey of methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate?
The InChIKey is HZMDBXNAEINWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S2/c1-9-6(8)5-7-3-4(10-2)11-5/h3H,1-2H3.
What are the key properties of methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate?
methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate has a molecular weight of 189.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylsulfanyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 168792607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).