4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine

C14H10FN7S — CID 164861531

IUPAC4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
SMILESNc1nsnc1-c1nc2cccc(F)c2n1Cc1cccnn1
InChIInChI=1S/C14H10FN7S/c15-9-4-1-5-10-12(9)22(7-8-3-2-6-17-19-8)14(18-10)11-13(16)21-23-20-11/h1-6H,7H2,(H2,16,21)
InChIKeyLWWNXVLNYJRPDO-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.11
Rot. Bonds3

About 4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine

4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine (PubChem CID 164861531) has the molecular formula C14H10FN7S and a molecular weight of 327.35 g/mol. Its IUPAC name is 4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
PubChem CID164861531
Molecular FormulaC14H10FN7S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC Name4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
SMILESNc1nsnc1-c1nc2cccc(F)c2n1Cc1cccnn1
InChIInChI=1S/C14H10FN7S/c15-9-4-1-5-10-12(9)22(7-8-3-2-6-17-19-8)14(18-10)11-13(16)21-23-20-11/h1-6H,7H2,(H2,16,21)
InChIKeyLWWNXVLNYJRPDO-UHFFFAOYSA-N
XLogP2.11
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[7-fluoro-1-[(6-methoxypyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861508
3-[5,7-difluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-4-methyl-1,2,5-oxadiazole
CID 164861514
4-[1-(1,2-dihydropyridazin-3-ylmethyl)-7-fluorobenzimidazol-2-yl]-N-methyl-1,2,5-thiadiazol-3-amine
CID 164861523
5-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-fluorobenzimidazol-1-yl]methyl]pyrazine-2-carbonitrile
CID 164861646
7-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
CID 112740692
2-methyl-3-(pyridazin-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 106897309
2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 106897412
2-ethyl-3-(pyridazin-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 106897308
4-[4-fluoro-1-[(6-methylpyridazin-3-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861595
4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
CID 112741020
6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione
CID 106896478
2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106896969

Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine (CID 164861531) is 4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine is Nc1nsnc1-c1nc2cccc(F)c2n1Cc1cccnn1.
What is the InChIKey of 4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine?
The InChIKey is LWWNXVLNYJRPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN7S/c15-9-4-1-5-10-12(9)22(7-8-3-2-6-17-19-8)14(18-10)11-13(16)21-23-20-11/h1-6H,7H2,(H2,16,21).
What are the key properties of 4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine?
4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine has a molecular weight of 327.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-1-(pyridazin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 164861531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).