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

C11H11N3O2S2 — CID 126817846

IUPAC2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
SMILESCSc1nsc(NC(=O)c2ccoc2C2CC2)n1
InChIInChI=1S/C11H11N3O2S2/c1-17-11-13-10(18-14-11)12-9(15)7-4-5-16-8(7)6-2-3-6/h4-6H,2-3H2,1H3,(H,12,13,14,15)
InChIKeyRCPHQVZBBLCNDQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.98
Rot. Bonds4

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

2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide (PubChem CID 126817846) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
PubChem CID126817846
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Name2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
SMILESCSc1nsc(NC(=O)c2ccoc2C2CC2)n1
InChIInChI=1S/C11H11N3O2S2/c1-17-11-13-10(18-14-11)12-9(15)7-4-5-16-8(7)6-2-3-6/h4-6H,2-3H2,1H3,(H,12,13,14,15)
InChIKeyRCPHQVZBBLCNDQ-UHFFFAOYSA-N
XLogP2.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide (CID 126817846) is 2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide is CSc1nsc(NC(=O)c2ccoc2C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
The InChIKey is RCPHQVZBBLCNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-17-11-13-10(18-14-11)12-9(15)7-4-5-16-8(7)6-2-3-6/h4-6H,2-3H2,1H3,(H,12,13,14,15).
What are the key properties of 2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide is sourced from PubChem (CID 126817846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).