5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine

C16H11N7S — CID 122507394

IUPAC5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c2nccn2c1
InChIInChI=1S/C16H11N7S/c1-2-12(14-17-5-7-23(14)6-1)15-21-22-16(24-15)19-11-3-4-13-10(8-11)9-18-20-13/h1-9H,(H,18,20)(H,19,22)
InChIKeyNSVVQVRZQUVKPO-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.47
Rot. Bonds3

About 5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine

5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 122507394) has the molecular formula C16H11N7S and a molecular weight of 333.38 g/mol. Its IUPAC name is 5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID122507394
Molecular FormulaC16H11N7S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c2nccn2c1
InChIInChI=1S/C16H11N7S/c1-2-12(14-17-5-7-23(14)6-1)15-21-22-16(24-15)19-11-3-4-13-10(8-11)9-18-20-13/h1-9H,(H,18,20)(H,19,22)
InChIKeyNSVVQVRZQUVKPO-UHFFFAOYSA-N
XLogP3.47
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 122507394) is 5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine is c1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c2nccn2c1.
What is the InChIKey of 5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NSVVQVRZQUVKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7S/c1-2-12(14-17-5-7-23(14)6-1)15-21-22-16(24-15)19-11-3-4-13-10(8-11)9-18-20-13/h1-9H,(H,18,20)(H,19,22).
What are the key properties of 5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 333.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,2-a]pyridin-8-yl-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122507394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).