6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide

C16H14N6OS2 — CID 133313439

IUPAC6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Sc2nnc(NC3CC3)s2)nn1
InChIInChI=1S/C16H14N6OS2/c23-14(17-10-4-2-1-3-5-10)12-8-9-13(20-19-12)24-16-22-21-15(25-16)18-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,17,23)(H,18,21)
InChIKeyPIHSEIASKYXYLQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.31
Rot. Bonds6

About 6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide

6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide (PubChem CID 133313439) has the molecular formula C16H14N6OS2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
PubChem CID133313439
Molecular FormulaC16H14N6OS2
Molecular Weight370.46 g/mol
Exact Mass370.07
IUPAC Name6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Sc2nnc(NC3CC3)s2)nn1
InChIInChI=1S/C16H14N6OS2/c23-14(17-10-4-2-1-3-5-10)12-8-9-13(20-19-12)24-16-22-21-15(25-16)18-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,17,23)(H,18,21)
InChIKeyPIHSEIASKYXYLQ-UHFFFAOYSA-N
XLogP3.31
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,2-diphenylacetamide
CID 46666473
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 8674447
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)-2-phenylacetamide
CID 8674567
6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide
CID 133313388
N-(4-acetamidophenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8674479
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8674413
6-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
CID 133313566
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674543
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 8674591
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7971313

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide (CID 133313439) is 6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(Sc2nnc(NC3CC3)s2)nn1.
What is the InChIKey of 6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide?
The InChIKey is PIHSEIASKYXYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS2/c23-14(17-10-4-2-1-3-5-10)12-8-9-13(20-19-12)24-16-22-21-15(25-16)18-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,17,23)(H,18,21).
What are the key properties of 6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide?
6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).