6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole

C19H14ClN7S2 — CID 133494782

IUPAC6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCn1c(Sc2nn3cc(-c4ccc(Cl)cc4)nc3s2)nnc1-c1cccnc1
InChIInChI=1S/C19H14ClN7S2/c1-2-26-16(13-4-3-9-21-10-13)23-24-18(26)29-19-25-27-11-15(22-17(27)28-19)12-5-7-14(20)8-6-12/h3-11H,2H2,1H3
InChIKeyVNXQJAWNXOTAKC-UHFFFAOYSA-N
MW439.96 g/mol
LogP4.94
Rot. Bonds5

About 6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole

6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133494782) has the molecular formula C19H14ClN7S2 and a molecular weight of 439.96 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133494782
Molecular FormulaC19H14ClN7S2
Molecular Weight439.96 g/mol
Exact Mass439.04
IUPAC Name6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCn1c(Sc2nn3cc(-c4ccc(Cl)cc4)nc3s2)nnc1-c1cccnc1
InChIInChI=1S/C19H14ClN7S2/c1-2-26-16(13-4-3-9-21-10-13)23-24-18(26)29-19-25-27-11-15(22-17(27)28-19)12-5-7-14(20)8-6-12/h3-11H,2H2,1H3
InChIKeyVNXQJAWNXOTAKC-UHFFFAOYSA-N
XLogP4.94
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.96
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462759
2-(1-phenyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462564
6-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220988
3-[5-[(2,6-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 2012503
2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462585
3-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 865578
1-(5-chloro-2-methylindol-1-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 90366832
3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 17269496
6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209415
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-methylphenyl)propan-2-one
CID 146945409
6-(4-chlorophenyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 935976

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole (CID 133494782) is 6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole is CCn1c(Sc2nn3cc(-c4ccc(Cl)cc4)nc3s2)nnc1-c1cccnc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is VNXQJAWNXOTAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN7S2/c1-2-26-16(13-4-3-9-21-10-13)23-24-18(26)29-19-25-27-11-15(22-17(27)28-19)12-5-7-14(20)8-6-12/h3-11H,2H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 439.96 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133494782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).