2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole

C10H14N4S3 — CID 51104658

IUPAC2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole
SMILESCCSc1nnc(SCc2nccn2CC)s1
InChIInChI=1S/C10H14N4S3/c1-3-14-6-5-11-8(14)7-16-10-13-12-9(17-10)15-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyKRLSBTJDKRDSDQ-UHFFFAOYSA-N
MW286.45 g/mol
LogP3.16
Rot. Bonds6

About 2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole

2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole (PubChem CID 51104658) has the molecular formula C10H14N4S3 and a molecular weight of 286.45 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole
PubChem CID51104658
Molecular FormulaC10H14N4S3
Molecular Weight286.45 g/mol
Exact Mass286.04
IUPAC Name2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole
SMILESCCSc1nnc(SCc2nccn2CC)s1
InChIInChI=1S/C10H14N4S3/c1-3-14-6-5-11-8(14)7-16-10-13-12-9(17-10)15-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyKRLSBTJDKRDSDQ-UHFFFAOYSA-N
XLogP3.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole (CID 51104658) is 2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole is CCSc1nnc(SCc2nccn2CC)s1.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole?
The InChIKey is KRLSBTJDKRDSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S3/c1-3-14-6-5-11-8(14)7-16-10-13-12-9(17-10)15-4-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole?
2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole has a molecular weight of 286.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 51104658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).