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

C17H14N6S2 — CID 133427010

IUPAC3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2nnc(-c3cccnc3)n2-c2ccccc2)n1
InChIInChI=1S/C17H14N6S2/c1-2-14-19-17(25-22-14)24-16-21-20-15(12-7-6-10-18-11-12)23(16)13-8-4-3-5-9-13/h3-11H,2H2,1H3
InChIKeyVCSNFCPAPKIRCE-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.89
Rot. Bonds5

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

3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole (PubChem CID 133427010) has the molecular formula C17H14N6S2 and a molecular weight of 366.48 g/mol. Its IUPAC name is 3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
PubChem CID133427010
Molecular FormulaC17H14N6S2
Molecular Weight366.48 g/mol
Exact Mass366.07
IUPAC Name3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2nnc(-c3cccnc3)n2-c2ccccc2)n1
InChIInChI=1S/C17H14N6S2/c1-2-14-19-17(25-22-14)24-16-21-20-15(12-7-6-10-18-11-12)23(16)13-8-4-3-5-9-13/h3-11H,2H2,1H3
InChIKeyVCSNFCPAPKIRCE-UHFFFAOYSA-N
XLogP3.89
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

(1S)-1-phenyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 25347181
3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole
CID 133426171
3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
CID 2216369
3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
CID 1156631
2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-4,6-dimethylpyrimidine
CID 39998156
3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266244
5-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 133427481
N-(2-ethyl-1-phenylbutyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55661693
3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
CID 893283
(4-phenylphenyl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 16552042
(1S)-2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol
CID 25471925
5-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-ethyl-1,2,4-thiadiazole
CID 133427381

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole (CID 133427010) is 3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole is CCc1nsc(Sc2nnc(-c3cccnc3)n2-c2ccccc2)n1.
What is the InChIKey of 3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
The InChIKey is VCSNFCPAPKIRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6S2/c1-2-14-19-17(25-22-14)24-16-21-20-15(12-7-6-10-18-11-12)23(16)13-8-4-3-5-9-13/h3-11H,2H2,1H3.
What are the key properties of 3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole?
3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole has a molecular weight of 366.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole is sourced from PubChem (CID 133427010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).