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

C10H10N2O3S3 — CID 47129437

IUPACmethyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CSc1nnc(SC)s1
InChIInChI=1S/C10H10N2O3S3/c1-14-8(13)7-6(3-4-15-7)5-17-10-12-11-9(16-2)18-10/h3-4H,5H2,1-2H3
InChIKeyYQYQJVDQTOFBLR-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.93
Rot. Bonds5

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

methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate (PubChem CID 47129437) has the molecular formula C10H10N2O3S3 and a molecular weight of 302.40 g/mol. Its IUPAC name is methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate
PubChem CID47129437
Molecular FormulaC10H10N2O3S3
Molecular Weight302.40 g/mol
Exact Mass301.99
IUPAC Namemethyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CSc1nnc(SC)s1
InChIInChI=1S/C10H10N2O3S3/c1-14-8(13)7-6(3-4-15-7)5-17-10-12-11-9(16-2)18-10/h3-4H,5H2,1-2H3
InChIKeyYQYQJVDQTOFBLR-UHFFFAOYSA-N
XLogP2.93
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate
CID 18122310
methyl 3-[(6-amino-3-pyridinyl)sulfanylmethyl]furan-2-carboxylate
CID 43301854
methyl 3-[(5-bromo-2-pyridinyl)sulfanylmethyl]furan-2-carboxylate
CID 78850858
2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]benzoic acid
CID 43244839
methyl 3-[(2-amino-5-fluorophenyl)sulfanylmethyl]furan-2-carboxylate
CID 79143948
methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate
CID 18122103
methyl 3-[[5-(aminomethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate
CID 63313612
methyl 3-[(1-ethylimidazol-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 47138781
methyl 3-[(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 33346912
2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]propanoic acid
CID 43241570
1-[4-methoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]ethanone
CID 7557457
methyl 3-[(4-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carboxylate
CID 43305184

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate (CID 47129437) is methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate is COC(=O)c1occc1CSc1nnc(SC)s1.
What is the InChIKey of methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
The InChIKey is YQYQJVDQTOFBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S3/c1-14-8(13)7-6(3-4-15-7)5-17-10-12-11-9(16-2)18-10/h3-4H,5H2,1-2H3.
What are the key properties of methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate?
methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate has a molecular weight of 302.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate is sourced from PubChem (CID 47129437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).