3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole

C14H14N4S2 — CID 133426171

IUPAC3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2ncc(-c3ccccc3)n2C)n1
InChIInChI=1S/C14H14N4S2/c1-3-12-16-14(20-17-12)19-13-15-9-11(18(13)2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyXSNDEVGFVGERHE-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.65
Rot. Bonds4

About 3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole

3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole (PubChem CID 133426171) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole
PubChem CID133426171
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2ncc(-c3ccccc3)n2C)n1
InChIInChI=1S/C14H14N4S2/c1-3-12-16-14(20-17-12)19-13-15-9-11(18(13)2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyXSNDEVGFVGERHE-UHFFFAOYSA-N
XLogP3.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole (CID 133426171) is 3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole is CCc1nsc(Sc2ncc(-c3ccccc3)n2C)n1.
What is the InChIKey of 3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole?
The InChIKey is XSNDEVGFVGERHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-3-12-16-14(20-17-12)19-13-15-9-11(18(13)2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole?
3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole has a molecular weight of 302.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 133426171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).