1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine

C22H17N7S — CID 6841251

IUPAC1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine
SMILESN#Cc1ccsc1Nc1ccccc1N/C(N)=N/c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C22H17N7S/c23-14-16-12-13-30-21(16)25-18-8-4-5-9-19(18)26-22(24)27-20-11-10-17(28-29-20)15-6-2-1-3-7-15/h1-13,25H,(H3,24,26,27,29)
InChIKeyVICPAWBDGSFMHO-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.88
Rot. Bonds5

About 1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine

1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine (PubChem CID 6841251) has the molecular formula C22H17N7S and a molecular weight of 411.49 g/mol. Its IUPAC name is 1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine.

Molecular Properties

Compound Name1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine
PubChem CID6841251
Molecular FormulaC22H17N7S
Molecular Weight411.49 g/mol
Exact Mass411.13
IUPAC Name1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine
SMILESN#Cc1ccsc1Nc1ccccc1N/C(N)=N/c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C22H17N7S/c23-14-16-12-13-30-21(16)25-18-8-4-5-9-19(18)26-22(24)27-20-11-10-17(28-29-20)15-6-2-1-3-7-15/h1-13,25H,(H3,24,26,27,29)
InChIKeyVICPAWBDGSFMHO-UHFFFAOYSA-N
XLogP4.88
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(6-phenylpyridazin-3-yl)-1-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]amino]phenyl]guanidine
CID 6841408
1-[2-[[3-(4-chlorophenyl)sulfanyl-1,1-dicyanoprop-1-en-2-yl]amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine
CID 6841179
methyl 2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]anilino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 6841352
5-(2-chlorophenyl)-2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]anilino]-1,3-thiazole-4-carboxylic acid
CID 6841155
1-[2-[[4-(3-amino-2-pyridinyl)phenoxy]methyl]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine
CID 6841342
3-cyano-N-methyl-N-(6-phenylpyridazin-3-yl)thiophene-2-carboxamide
CID 71969776
4-[(3-cyanothiophen-2-yl)amino]-4-oxo-2-phenylbutanoic acid
CID 45313303
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 2484559
2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
CID 61258574
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 16528654
N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2390774

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine?
The IUPAC name of 1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine (CID 6841251) is 1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine.
What is the SMILES notation for 1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine?
The canonical SMILES for 1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine is N#Cc1ccsc1Nc1ccccc1N/C(N)=N/c1ccc(-c2ccccc2)nn1.
What is the InChIKey of 1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine?
The InChIKey is VICPAWBDGSFMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7S/c23-14-16-12-13-30-21(16)25-18-8-4-5-9-19(18)26-22(24)27-20-11-10-17(28-29-20)15-6-2-1-3-7-15/h1-13,25H,(H3,24,26,27,29).
What are the key properties of 1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine?
1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine has a molecular weight of 411.49 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-cyanothiophen-2-yl)amino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine is sourced from PubChem (CID 6841251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).