6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide

C14H12N6OS — CID 133379878

IUPAC6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2nnc(-c3ccccc3)s2)nn1
InChIInChI=1S/C14H12N6OS/c15-13(21)10-6-7-11(18-17-10)16-8-12-19-20-14(22-12)9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,21)(H,16,18)
InChIKeyLZAUJWCOJYCUGZ-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.71
Rot. Bonds5

About 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide

6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide (PubChem CID 133379878) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide
PubChem CID133379878
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2nnc(-c3ccccc3)s2)nn1
InChIInChI=1S/C14H12N6OS/c15-13(21)10-6-7-11(18-17-10)16-8-12-19-20-14(22-12)9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,21)(H,16,18)
InChIKeyLZAUJWCOJYCUGZ-UHFFFAOYSA-N
XLogP1.71
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide
CID 133379872
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 110873740
6-(3-methylpyrazol-1-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridazin-3-amine
CID 133379870
6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide
CID 133449091
6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 79109187
2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 154751637
3-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133379823
6-(2-phenylpropylamino)pyridazine-3-carboxamide
CID 112695970
1-(4-chlorophenyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874844
6-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]quinolin-2-amine
CID 133379936
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511

Frequently Asked Questions

What is the IUPAC name of 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide (CID 133379878) is 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide is NC(=O)c1ccc(NCc2nnc(-c3ccccc3)s2)nn1.
What is the InChIKey of 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide?
The InChIKey is LZAUJWCOJYCUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c15-13(21)10-6-7-11(18-17-10)16-8-12-19-20-14(22-12)9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,21)(H,16,18).
What are the key properties of 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide?
6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 133379878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).