N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

C14H11N5OS — CID 75505678

IUPACN-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1csc(-c2nnc(NCc3cccc4cn[nH]c34)o2)c1
InChIInChI=1S/C14H11N5OS/c1-3-9(12-10(4-1)8-16-17-12)7-15-14-19-18-13(20-14)11-5-2-6-21-11/h1-6,8H,7H2,(H,15,19)(H,16,17)
InChIKeyJWUKCFLZQJCOKI-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.29
Rot. Bonds4

About N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75505678) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID75505678
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC NameN-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1csc(-c2nnc(NCc3cccc4cn[nH]c34)o2)c1
InChIInChI=1S/C14H11N5OS/c1-3-9(12-10(4-1)8-16-17-12)7-15-14-19-18-13(20-14)11-5-2-6-21-11/h1-6,8H,7H2,(H,15,19)(H,16,17)
InChIKeyJWUKCFLZQJCOKI-UHFFFAOYSA-N
XLogP3.29
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 75505678) is N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is c1csc(-c2nnc(NCc3cccc4cn[nH]c34)o2)c1.
What is the InChIKey of N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is JWUKCFLZQJCOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-3-9(12-10(4-1)8-16-17-12)7-15-14-19-18-13(20-14)11-5-2-6-21-11/h1-6,8H,7H2,(H,15,19)(H,16,17).
What are the key properties of N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 297.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75505678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).