3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole

C17H13N5OS2 — CID 133426901

IUPAC3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
SMILESc1ccc(-n2c(Sc3nc(C4CC4)ns3)nnc2-c2ccco2)cc1
InChIInChI=1S/C17H13N5OS2/c1-2-5-12(6-3-1)22-15(13-7-4-10-23-13)19-20-16(22)24-17-18-14(21-25-17)11-8-9-11/h1-7,10-11H,8-9H2
InChIKeyCHIYARRPBIVABH-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.41
Rot. Bonds5

About 3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole

3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole (PubChem CID 133426901) has the molecular formula C17H13N5OS2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
PubChem CID133426901
Molecular FormulaC17H13N5OS2
Molecular Weight367.46 g/mol
Exact Mass367.06
IUPAC Name3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
SMILESc1ccc(-n2c(Sc3nc(C4CC4)ns3)nnc2-c2ccco2)cc1
InChIInChI=1S/C17H13N5OS2/c1-2-5-12(6-3-1)22-15(13-7-4-10-23-13)19-20-16(22)24-17-18-14(21-25-17)11-8-9-11/h1-7,10-11H,8-9H2
InChIKeyCHIYARRPBIVABH-UHFFFAOYSA-N
XLogP4.41
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole with MolForge

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Related Compounds

3-cyclopropyl-5-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
CID 133427458
3-cyclopropyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
CID 133426974
3-cyclopropyl-5-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
CID 133427571
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one
CID 4280560
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 726831
3-(furan-2-yl)-4-phenyl-5-propylsulfanyl-1,2,4-triazole
CID 2451643
5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole
CID 133427381
(3R,5R)-3-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-methyloxolan-2-one
CID 40719503
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate;piperidin-1-ium
CID 159677899
3-[(4-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole
CID 555677
(2S)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 2623022
2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2659252

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole (CID 133426901) is 3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole is c1ccc(-n2c(Sc3nc(C4CC4)ns3)nnc2-c2ccco2)cc1.
What is the InChIKey of 3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole?
The InChIKey is CHIYARRPBIVABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS2/c1-2-5-12(6-3-1)22-15(13-7-4-10-23-13)19-20-16(22)24-17-18-14(21-25-17)11-8-9-11/h1-7,10-11H,8-9H2.
What are the key properties of 3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole has a molecular weight of 367.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole is sourced from PubChem (CID 133426901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).