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

C6H7NO3S2 — CID 168792312

IUPACmethyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(S(C)=O)s1
InChIInChI=1S/C6H7NO3S2/c1-10-6(8)5-7-3-4(11-5)12(2)9/h3H,1-2H3
InChIKeyZBOLRDCCBSVSCL-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.67
Rot. Bonds2

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

methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate (PubChem CID 168792312) has the molecular formula C6H7NO3S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate
PubChem CID168792312
Molecular FormulaC6H7NO3S2
Molecular Weight205.26 g/mol
Exact Mass204.99
IUPAC Namemethyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(S(C)=O)s1
InChIInChI=1S/C6H7NO3S2/c1-10-6(8)5-7-3-4(11-5)12(2)9/h3H,1-2H3
InChIKeyZBOLRDCCBSVSCL-UHFFFAOYSA-N
XLogP0.67
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate
CID 115017066
methyl 5-(methylsulfonylmethyl)-1,3-thiazole-2-carboxylate
CID 164907541
ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate
CID 163271303
methyl 2-sulfinamoyl-1,3-thiazole-5-carboxylate
CID 142522893
methyl 5-methylsulfinylfuran-2-carboxylate
CID 163367642
methyl 5-methylsulfinylpyridine-3-carboxylate
CID 142057010
methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
CID 76850392
methyl 5-chloro-[1,3]thiazolo[5,4-b]pyridine-2-carboxylate
CID 130055645
methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
(111C)methyl pyridine-3-carboxylate
CID 11309537
2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 66714979
2-acetamido-1,3-thiazole-5-sulfinate
CID 90750741

Frequently Asked Questions

What is the IUPAC name of methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate (CID 168792312) is methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate is COC(=O)c1ncc(S(C)=O)s1.
What is the InChIKey of methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate?
The InChIKey is ZBOLRDCCBSVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S2/c1-10-6(8)5-7-3-4(11-5)12(2)9/h3H,1-2H3.
What are the key properties of methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate?
methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 168792312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).