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

C14H10N6S2 — CID 133416065

IUPAC6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
SMILESCc1ccc(Nc2nnc(Sc3ccc(C#N)nn3)s2)cc1
InChIInChI=1S/C14H10N6S2/c1-9-2-4-10(5-3-9)16-13-19-20-14(22-13)21-12-7-6-11(8-15)17-18-12/h2-7H,1H3,(H,16,19)
InChIKeyLLRHNPVWTGUKNW-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.40
Rot. Bonds4

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

6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile (PubChem CID 133416065) has the molecular formula C14H10N6S2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
PubChem CID133416065
Molecular FormulaC14H10N6S2
Molecular Weight326.41 g/mol
Exact Mass326.04
IUPAC Name6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
SMILESCc1ccc(Nc2nnc(Sc3ccc(C#N)nn3)s2)cc1
InChIInChI=1S/C14H10N6S2/c1-9-2-4-10(5-3-9)16-13-19-20-14(22-13)21-12-7-6-11(8-15)17-18-12/h2-7H,1H3,(H,16,19)
InChIKeyLLRHNPVWTGUKNW-UHFFFAOYSA-N
XLogP3.40
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile (CID 133416065) is 6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile is Cc1ccc(Nc2nnc(Sc3ccc(C#N)nn3)s2)cc1.
What is the InChIKey of 6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The InChIKey is LLRHNPVWTGUKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S2/c1-9-2-4-10(5-3-9)16-13-19-20-14(22-13)21-12-7-6-11(8-15)17-18-12/h2-7H,1H3,(H,16,19).
What are the key properties of 6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile has a molecular weight of 326.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133416065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).