trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide

C11H11N3O2S2 — CID 97018747

IUPACtrans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
SMILESCSc1nsc(NC(=O)[C@H]2C[C@@H]2c2ccco2)n1
InChIInChI=1S/C11H11N3O2S2/c1-17-11-13-10(18-14-11)12-9(15)7-5-6(7)8-3-2-4-16-8/h2-4,6-7H,5H2,1H3,(H,12,13,14,15)/t6-,7-/m0/s1
InChIKeyXZXSLXQXBKVUNR-BQBZGAKWSA-N
MW281.36 g/mol
LogP2.60
Rot. Bonds4

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

trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 97018747) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
PubChem CID97018747
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Nametrans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
SMILESCSc1nsc(NC(=O)[C@H]2C[C@@H]2c2ccco2)n1
InChIInChI=1S/C11H11N3O2S2/c1-17-11-13-10(18-14-11)12-9(15)7-5-6(7)8-3-2-4-16-8/h2-4,6-7H,5H2,1H3,(H,12,13,14,15)/t6-,7-/m0/s1
InChIKeyXZXSLXQXBKVUNR-BQBZGAKWSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide (CID 97018747) is trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide is CSc1nsc(NC(=O)[C@H]2C[C@@H]2c2ccco2)n1.
What is the InChIKey of trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is XZXSLXQXBKVUNR-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-17-11-13-10(18-14-11)12-9(15)7-5-6(7)8-3-2-4-16-8/h2-4,6-7H,5H2,1H3,(H,12,13,14,15)/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97018747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).