6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile

C14H9N5S2 — CID 133391795

IUPAC6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Sc2nnc(Nc3ccccc3)s2)n1
InChIInChI=1S/C14H9N5S2/c15-9-11-7-4-8-12(16-11)20-14-19-18-13(21-14)17-10-5-2-1-3-6-10/h1-8H,(H,17,18)
InChIKeyOHKLSEPMGCJUMT-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.70
Rot. Bonds4

About 6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile

6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile (PubChem CID 133391795) has the molecular formula C14H9N5S2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile
PubChem CID133391795
Molecular FormulaC14H9N5S2
Molecular Weight311.40 g/mol
Exact Mass311.03
IUPAC Name6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Sc2nnc(Nc3ccccc3)s2)n1
InChIInChI=1S/C14H9N5S2/c15-9-11-7-4-8-12(16-11)20-14-19-18-13(21-14)17-10-5-2-1-3-6-10/h1-8H,(H,17,18)
InChIKeyOHKLSEPMGCJUMT-UHFFFAOYSA-N
XLogP3.70
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133392455
6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133416076
6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133416065
2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64588953
2-[2-[(6-cyano-2-pyridinyl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 64589357
4-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396470
3-[[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]benzonitrile
CID 94698040
6-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 64593835
5-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 23790137
3-chloro-5-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile
CID 133425535
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 34801710
N-phenyl-5-(2,4,6-trinitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 11981572

Frequently Asked Questions

What is the IUPAC name of 6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile (CID 133391795) is 6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile is N#Cc1cccc(Sc2nnc(Nc3ccccc3)s2)n1.
What is the InChIKey of 6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
The InChIKey is OHKLSEPMGCJUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5S2/c15-9-11-7-4-8-12(16-11)20-14-19-18-13(21-14)17-10-5-2-1-3-6-10/h1-8H,(H,17,18).
What are the key properties of 6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile?
6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile has a molecular weight of 311.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile is sourced from PubChem (CID 133391795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).