2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole

C16H12N6O2S2 — CID 33279095

IUPAC2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(SC[C@@H]3CSc4nnc(-c5ccncc5)n43)o2)c1
InChIInChI=1S/C16H12N6O2S2/c1-2-12(23-7-1)14-19-21-16(24-14)26-9-11-8-25-15-20-18-13(22(11)15)10-3-5-17-6-4-10/h1-7,11H,8-9H2/t11-/m0/s1
InChIKeyVZHSBQJFQAFZDM-NSHDSACASA-N
MW384.45 g/mol
LogP3.42
Rot. Bonds5

About 2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole

2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 33279095) has the molecular formula C16H12N6O2S2 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
PubChem CID33279095
Molecular FormulaC16H12N6O2S2
Molecular Weight384.45 g/mol
Exact Mass384.05
IUPAC Name2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(SC[C@@H]3CSc4nnc(-c5ccncc5)n43)o2)c1
InChIInChI=1S/C16H12N6O2S2/c1-2-12(23-7-1)14-19-21-16(24-14)26-9-11-8-25-15-20-18-13(22(11)15)10-3-5-17-6-4-10/h1-7,11H,8-9H2/t11-/m0/s1
InChIKeyVZHSBQJFQAFZDM-NSHDSACASA-N
XLogP3.42
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

2-(furan-2-yl)-5-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42885759
2-(furan-2-yl)-5-[[(5R)-3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 33279090
(5S)-5-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 33275200
2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 134066521
3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33363330
5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 55604320
3-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 30794126
2-(furan-2-yl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 17401686
1-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 7808560
N-(cyclohexylmethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4782802
5-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 55600333
1-(2,4-dihydroxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 2084970

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole (CID 33279095) is 2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole is c1coc(-c2nnc(SC[C@@H]3CSc4nnc(-c5ccncc5)n43)o2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is VZHSBQJFQAFZDM-NSHDSACASA-N. The full InChI is InChI=1S/C16H12N6O2S2/c1-2-12(23-7-1)14-19-21-16(24-14)26-9-11-8-25-15-20-18-13(22(11)15)10-3-5-17-6-4-10/h1-7,11H,8-9H2/t11-/m0/s1.
What are the key properties of 2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 384.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 33279095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).