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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Related Compounds

5-[3-[6-(4-methylimidazol-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68327806
N-6-((1S,2R)-2-aminocyclohexyl)-1-(1H-indazol-5-yl)-1H-pyrazolo[3,4-b]pyrazine-3,6-diamine (6g)
CID 122198700
N-(1H-indazol-5-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44440812
1-(1H-indazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
CID 71712567
N-(1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 127048931
N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 127052038
5-(1H-imidazol-1-yl)-2-(1H-indazol-3-yl)-1H-benzo[d]imidazole
CID 136043806
N-methyl-5-[3-[6-(4-methylimidazol-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68328857
N-(4-chloro-1H-indazol-5-yl)-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-1,3,4-thiadiazol-2-amine
CID 122522855
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine
CID 155553367
5-[4-[2-(tetrazol-1-yl)phenyl]triazol-1-yl]-1H-indazole
CID 155569596
N-[5-(4-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155678833

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).