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

C14H10N6S2 — CID 133416076

IUPAC6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
SMILESCc1cccc(Nc2nnc(Sc3ccc(C#N)nn3)s2)c1
InChIInChI=1S/C14H10N6S2/c1-9-3-2-4-10(7-9)16-13-19-20-14(22-13)21-12-6-5-11(8-15)17-18-12/h2-7H,1H3,(H,16,19)
InChIKeyLUKVNJFZCWEGHB-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.40
Rot. Bonds4

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

6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile (PubChem CID 133416076) has the molecular formula C14H10N6S2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
PubChem CID133416076
Molecular FormulaC14H10N6S2
Molecular Weight326.41 g/mol
Exact Mass326.04
IUPAC Name6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
SMILESCc1cccc(Nc2nnc(Sc3ccc(C#N)nn3)s2)c1
InChIInChI=1S/C14H10N6S2/c1-9-3-2-4-10(7-9)16-13-19-20-14(22-13)21-12-6-5-11(8-15)17-18-12/h2-7H,1H3,(H,16,19)
InChIKeyLUKVNJFZCWEGHB-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
CID 133416065
3-chloro-5-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile
CID 133425535
6-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 133391795
5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 94695298
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 133425536
4-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396470
4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
CID 7503610
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 7378209
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 39599961
2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
CID 17404724
N-[5-[(6-cyano-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133392455
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 46674855

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile (CID 133416076) is 6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile is Cc1cccc(Nc2nnc(Sc3ccc(C#N)nn3)s2)c1.
What is the InChIKey of 6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The InChIKey is LUKVNJFZCWEGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S2/c1-9-3-2-4-10(7-9)16-13-19-20-14(22-13)21-12-6-5-11(8-15)17-18-12/h2-7H,1H3,(H,16,19).
What are the key properties of 6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
6-[[5-(3-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-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133416076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).