Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate

C8H9NO4S2 — CID 57276937

IUPACmethyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate
SMILESCOC(=O)CSC1=CN=C(S1)C(=O)OC
InChIInChI=1S/C8H9NO4S2/c1-12-5(10)4-14-6-3-9-7(15-6)8(11)13-2/h3H,4H2,1-2H3
InChIKeyQKCDLCYPSZMFTQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.90
Rot. Bonds6

About Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate

Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate (PubChem CID 57276937) has the molecular formula C8H9NO4S2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound NameMethyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate
PubChem CID57276937
Molecular FormulaC8H9NO4S2
Molecular Weight247.30 g/mol
Exact Mass247.00
IUPAC Namemethyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate
SMILESCOC(=O)CSC1=CN=C(S1)C(=O)OC
InChIInChI=1S/C8H9NO4S2/c1-12-5(10)4-14-6-3-9-7(15-6)8(11)13-2/h3H,4H2,1-2H3
InChIKeyQKCDLCYPSZMFTQ-UHFFFAOYSA-N
XLogP1.90
TPSA119.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity249

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl thiazole-2-carboxylate
CID 7567660
Methyl 5-bromo-1,3-thiazole-2-carboxylate
CID 45074533
Ethyl 5-bromo-1,3-thiazole-2-carboxylate
CID 45480407
Ethyl 5-iodo-1,3-thiazole-2-carboxylate
CID 66221100
Methyl 5-(chlorosulfonyl)thiazole-2-carboxylate
CID 168898841
Ethyl 1,3-thiazole-2-carboxylate
CID 13032471
Methyl 5-fluoro-1,3-thiazole-2-carboxylate
CID 130935748
Trifluoro-(2-methoxycarbonyl-1,3-thiazol-5-yl)boranuide
CID 165996654
Methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate
CID 15093272
Methyl 2-(1,3-thiazol-3-ium-3-yl)acetate
CID 18432213
Boc thiazole
CID 18962487
Methyl 5-(tributylstannyl)thiazole-2-carboxylate
CID 46840006

Frequently Asked Questions

What is the IUPAC name of Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate?
The IUPAC name of Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate (CID 57276937) is methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate is COC(=O)CSC1=CN=C(S1)C(=O)OC.
What is the InChIKey of Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate?
The InChIKey is QKCDLCYPSZMFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S2/c1-12-5(10)4-14-6-3-9-7(15-6)8(11)13-2/h3H,4H2,1-2H3.
What are the key properties of Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate?
Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 57276937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).