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

C14H11N7S — CID 122522910

IUPAC5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C14H11N7S/c15-10-3-9(5-16-7-10)13-20-21-14(22-13)18-11-1-2-12-8(4-11)6-17-19-12/h1-7H,15H2,(H,17,19)(H,18,21)
InChIKeyYHQLEOKWEREMAU-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.80
Rot. Bonds3

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

5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 122522910) has the molecular formula C14H11N7S and a molecular weight of 309.36 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID122522910
Molecular FormulaC14H11N7S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C14H11N7S/c15-10-3-9(5-16-7-10)13-20-21-14(22-13)18-11-1-2-12-8(4-11)6-17-19-12/h1-7H,15H2,(H,17,19)(H,18,21)
InChIKeyYHQLEOKWEREMAU-UHFFFAOYSA-N
XLogP2.80
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 122522910) is 5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine is Nc1cncc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.
What is the InChIKey of 5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YHQLEOKWEREMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7S/c15-10-3-9(5-16-7-10)13-20-21-14(22-13)18-11-1-2-12-8(4-11)6-17-19-12/h1-7H,15H2,(H,17,19)(H,18,21).
What are the key properties of 5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 309.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122522910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).