methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate

C12H13NO3S2 — CID 78766430

IUPACmethyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CSc2nc(C)cs2)oc1C
InChIInChI=1S/C12H13NO3S2/c1-7-5-17-12(13-7)18-6-9-4-10(8(2)16-9)11(14)15-3/h4-5H,6H2,1-3H3
InChIKeyGPBWPPJAVYSKGN-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.43
Rot. Bonds4

About methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate

methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate (PubChem CID 78766430) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate
PubChem CID78766430
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC Namemethyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CSc2nc(C)cs2)oc1C
InChIInChI=1S/C12H13NO3S2/c1-7-5-17-12(13-7)18-6-9-4-10(8(2)16-9)11(14)15-3/h4-5H,6H2,1-3H3
InChIKeyGPBWPPJAVYSKGN-UHFFFAOYSA-N
XLogP3.43
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylate
CID 8809732
methyl 2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 113254544
methyl 2-chloro-5-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 3651660
ethyl 2-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylsulfanyl]-4-oxo-1,3-thiazole-5-carboxylate
CID 42942027
methyl 2-methyl-5-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate
CID 78764128
methyl 2-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2533012
methyl 5-(chlorosulfonylmethyl)-2-methylfuran-3-carboxylate
CID 62086161
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] naphthalene-1-carboxylate
CID 7267898
methyl 5-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate
CID 2121002
methyl 2-methyl-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate
CID 8787133
methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanoate
CID 79629528

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate (CID 78766430) is methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate is COC(=O)c1cc(CSc2nc(C)cs2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate?
The InChIKey is GPBWPPJAVYSKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-7-5-17-12(13-7)18-6-9-4-10(8(2)16-9)11(14)15-3/h4-5H,6H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate?
methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]furan-3-carboxylate is sourced from PubChem (CID 78766430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).