4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile

C16H10N6OS2 — CID 143568430

IUPAC4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)cc(-c2cccs2)nc1SCc1nn[nH]n1
InChIInChI=1S/C16H10N6OS2/c17-8-11-10(13-3-1-5-23-13)7-12(14-4-2-6-24-14)18-16(11)25-9-15-19-21-22-20-15/h1-7H,9H2,(H,19,20,21,22)
InChIKeyIQWZAHZJDJHLHF-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.75
Rot. Bonds5

About 4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile

4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 143568430) has the molecular formula C16H10N6OS2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID143568430
Molecular FormulaC16H10N6OS2
Molecular Weight366.43 g/mol
Exact Mass366.04
IUPAC Name4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)cc(-c2cccs2)nc1SCc1nn[nH]n1
InChIInChI=1S/C16H10N6OS2/c17-8-11-10(13-3-1-5-23-13)7-12(14-4-2-6-24-14)18-16(11)25-9-15-19-21-22-20-15/h1-7H,9H2,(H,19,20,21,22)
InChIKeyIQWZAHZJDJHLHF-UHFFFAOYSA-N
XLogP3.75
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-benzylsulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 3334393
4-(4-tert-butylphenyl)-6-thiophen-2-yl-2-(thiophen-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 3820214
2-(cyanomethylsulfanyl)-4-(furan-2-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 139219253
2-benzylsulfanyl-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 4022523
6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
CID 14950530
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 1284159
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 6984680
3-(furan-2-yl)-6-thiophen-2-ylpyridazine
CID 101136658
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 24649710
2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
CID 1010503
4,6-dimethyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 40690388
2-[2-(3,5-dimethylpyrazol-1-yl)-2-sulfanylideneethyl]sulfanyl-6-(4-fluorophenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 4188968

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile (CID 143568430) is 4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccco2)cc(-c2cccs2)nc1SCc1nn[nH]n1.
What is the InChIKey of 4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is IQWZAHZJDJHLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6OS2/c17-8-11-10(13-3-1-5-23-13)7-12(14-4-2-6-24-14)18-16(11)25-9-15-19-21-22-20-15/h1-7H,9H2,(H,19,20,21,22).
What are the key properties of 4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 366.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 143568430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).