N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine

C17H13N7S — CID 122507376

IUPACN-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCn1cnc2c(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)cccc21
InChIInChI=1S/C17H13N7S/c1-24-9-18-15-12(3-2-4-14(15)24)16-22-23-17(25-16)20-11-5-6-13-10(7-11)8-19-21-13/h2-9H,1H3,(H,19,21)(H,20,23)
InChIKeyKASMRNQSNPZECA-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.71
Rot. Bonds3

About N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine

N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 122507376) has the molecular formula C17H13N7S and a molecular weight of 347.41 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID122507376
Molecular FormulaC17H13N7S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC NameN-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCn1cnc2c(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)cccc21
InChIInChI=1S/C17H13N7S/c1-24-9-18-15-12(3-2-4-14(15)24)16-22-23-17(25-16)20-11-5-6-13-10(7-11)8-19-21-13/h2-9H,1H3,(H,19,21)(H,20,23)
InChIKeyKASMRNQSNPZECA-UHFFFAOYSA-N
XLogP3.71
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine (CID 122507376) is N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine is Cn1cnc2c(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)cccc21.
What is the InChIKey of N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KASMRNQSNPZECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7S/c1-24-9-18-15-12(3-2-4-14(15)24)16-22-23-17(25-16)20-11-5-6-13-10(7-11)8-19-21-13/h2-9H,1H3,(H,19,21)(H,20,23).
What are the key properties of N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine?
N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 347.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-5-(1-methylbenzimidazol-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122507376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).