4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine

C15H14FN7S — CID 164861523

IUPAC4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1nc2cccc(F)c2n1CC1=CC=CNN1
InChIInChI=1S/C15H14FN7S/c1-17-14-12(21-24-22-14)15-19-11-6-2-5-10(16)13(11)23(15)8-9-4-3-7-18-20-9/h2-7,18,20H,8H2,1H3,(H,17,22)
InChIKeyDIOPCXSYCVQNIC-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.24
Rot. Bonds4

About 4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine

4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 164861523) has the molecular formula C15H14FN7S and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID164861523
Molecular FormulaC15H14FN7S
Molecular Weight343.39 g/mol
Exact Mass343.10
IUPAC Name4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1nc2cccc(F)c2n1CC1=CC=CNN1
InChIInChI=1S/C15H14FN7S/c1-17-14-12(21-24-22-14)15-19-11-6-2-5-10(16)13(11)23(15)8-9-4-3-7-18-20-9/h2-7,18,20H,8H2,1H3,(H,17,22)
InChIKeyDIOPCXSYCVQNIC-UHFFFAOYSA-N
XLogP2.24
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-(1,2-dihydropyridazin-3-ylmethyl)-4-fluorobenzimidazol-2-yl]-4-methyl-1,2,5-thiadiazole
CID 164861627
4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
CID 164861531
N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
CID 164861414
4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 115502955
4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 82823181
4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861508
7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
CID 112740692
5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile
CID 164861646
2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole
CID 130526495
4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
CID 112741020
7-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 83418423
2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79516498

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine (CID 164861523) is 4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine is CNc1nsnc1-c1nc2cccc(F)c2n1CC1=CC=CNN1.
What is the InChIKey of 4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is DIOPCXSYCVQNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7S/c1-17-14-12(21-24-22-14)15-19-11-6-2-5-10(16)13(11)23(15)8-9-4-3-7-18-20-9/h2-7,18,20H,8H2,1H3,(H,17,22).
What are the key properties of 4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine?
4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 343.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 164861523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).