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

C11H11N3O2S2 — CID 97018748

IUPACtrans-(1R,2R)-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-/m1/s1
InChIKeyXZXSLXQXBKVUNR-RNFRBKRXSA-N
MW281.36 g/mol
LogP2.60
Rot. Bonds4

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

trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 97018748) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
PubChem CID97018748
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Nametrans-(1R,2R)-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-/m1/s1
InChIKeyXZXSLXQXBKVUNR-RNFRBKRXSA-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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Related Compounds

trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 97018747
N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47450059
trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95351827
trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95351826
N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449977
N-[2-(dimethylamino)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449970
cis-(1R,2S)-2-(furan-2-yl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
CID 97075153
N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine
CID 126999868
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 75405611
cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide
CID 94215656
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751
5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166375052

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide (CID 97018748) is trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-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-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is XZXSLXQXBKVUNR-RNFRBKRXSA-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-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-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-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97018748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).