methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate

C8H7N3O3S — CID 1401960

IUPACmethyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C8H7N3O3S/c1-13-8(12)9-7-11-10-6(15-7)5-3-2-4-14-5/h2-4H,1H3,(H,9,11,12)
InChIKeyJIRHDKMEABUZSL-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.98
Rot. Bonds2

About methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate

methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate (PubChem CID 1401960) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate
PubChem CID1401960
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Namemethyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C8H7N3O3S/c1-13-8(12)9-7-11-10-6(15-7)5-3-2-4-14-5/h2-4H,1H3,(H,9,11,12)
InChIKeyJIRHDKMEABUZSL-UHFFFAOYSA-N
XLogP1.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate (CID 1401960) is methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate is COC(=O)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate?
The InChIKey is JIRHDKMEABUZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c1-13-8(12)9-7-11-10-6(15-7)5-3-2-4-14-5/h2-4H,1H3,(H,9,11,12).
What are the key properties of methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate?
methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate has a molecular weight of 225.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate is sourced from PubChem (CID 1401960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).