N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide

C13H11N3OS — CID 53038130

IUPACN-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1[nH]nc2ccccc12)c1ccsc1
InChIInChI=1S/C13H11N3OS/c17-13(9-5-6-18-8-9)14-7-12-10-3-1-2-4-11(10)15-16-12/h1-6,8H,7H2,(H,14,17)(H,15,16)
InChIKeyPZLTVOMDGKTJNZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.55
Rot. Bonds3

About N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide

N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide (PubChem CID 53038130) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide
PubChem CID53038130
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1[nH]nc2ccccc12)c1ccsc1
InChIInChI=1S/C13H11N3OS/c17-13(9-5-6-18-8-9)14-7-12-10-3-1-2-4-11(10)15-16-12/h1-6,8H,7H2,(H,14,17)(H,15,16)
InChIKeyPZLTVOMDGKTJNZ-UHFFFAOYSA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide (CID 53038130) is N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide is O=C(NCc1[nH]nc2ccccc12)c1ccsc1.
What is the InChIKey of N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide?
The InChIKey is PZLTVOMDGKTJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-13(9-5-6-18-8-9)14-7-12-10-3-1-2-4-11(10)15-16-12/h1-6,8H,7H2,(H,14,17)(H,15,16).
What are the key properties of N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide?
N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 53038130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).