N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide

C15H15N3OS — CID 22319580

IUPACN-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C15H15N3OS/c1-2-3-14(19)16-15-12-5-4-10(8-13(12)17-18-15)11-6-7-20-9-11/h4-9H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyKEXXQGBZRBKVRC-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.03
Rot. Bonds4

About N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide

N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide (PubChem CID 22319580) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide
PubChem CID22319580
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C15H15N3OS/c1-2-3-14(19)16-15-12-5-4-10(8-13(12)17-18-15)11-6-7-20-9-11/h4-9H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyKEXXQGBZRBKVRC-UHFFFAOYSA-N
XLogP4.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide?
The IUPAC name of N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide (CID 22319580) is N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide.
What is the SMILES notation for N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide?
The canonical SMILES for N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12.
What is the InChIKey of N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide?
The InChIKey is KEXXQGBZRBKVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-3-14(19)16-15-12-5-4-10(8-13(12)17-18-15)11-6-7-20-9-11/h4-9H,2-3H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide?
N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide has a molecular weight of 285.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-thiophen-3-yl-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 22319580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).