ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate

C10H10N4O2S2 — CID 80604256

IUPACethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(Sc2ncc(C)cn2)s1
InChIInChI=1S/C10H10N4O2S2/c1-3-16-8(15)7-13-14-10(17-7)18-9-11-4-6(2)5-12-9/h4-5H,3H2,1-2H3
InChIKeyFZZPAZANGHLTLU-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.96
Rot. Bonds4

About ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate

ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate (PubChem CID 80604256) has the molecular formula C10H10N4O2S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate
PubChem CID80604256
Molecular FormulaC10H10N4O2S2
Molecular Weight282.35 g/mol
Exact Mass282.02
IUPAC Nameethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(Sc2ncc(C)cn2)s1
InChIInChI=1S/C10H10N4O2S2/c1-3-16-8(15)7-13-14-10(17-7)18-9-11-4-6(2)5-12-9/h4-5H,3H2,1-2H3
InChIKeyFZZPAZANGHLTLU-UHFFFAOYSA-N
XLogP1.96
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate (CID 80604256) is ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate is CCOC(=O)c1nnc(Sc2ncc(C)cn2)s1.
What is the InChIKey of ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate?
The InChIKey is FZZPAZANGHLTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S2/c1-3-16-8(15)7-13-14-10(17-7)18-9-11-4-6(2)5-12-9/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate?
ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate has a molecular weight of 282.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-methylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazole-2-carboxylate is sourced from PubChem (CID 80604256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).