N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

C11H7N3O2S2 — CID 1080986

IUPACN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)c1ccco1
InChIInChI=1S/C11H7N3O2S2/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h1-6H,(H,12,14,15)
InChIKeySCLMEOCLBQWJMK-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.11
Rot. Bonds3

About N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 1080986) has the molecular formula C11H7N3O2S2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID1080986
Molecular FormulaC11H7N3O2S2
Molecular Weight277.33 g/mol
Exact Mass277.00
IUPAC NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)c1ccco1
InChIInChI=1S/C11H7N3O2S2/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h1-6H,(H,12,14,15)
InChIKeySCLMEOCLBQWJMK-UHFFFAOYSA-N
XLogP3.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 1080986) is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is O=C(Nc1nnc(-c2cccs2)s1)c1ccco1.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is SCLMEOCLBQWJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S2/c15-9(7-3-1-5-16-7)12-11-14-13-10(18-11)8-4-2-6-17-8/h1-6H,(H,12,14,15).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 1080986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).