N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide

C14H13N3OS — CID 60714994

IUPACN-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H13N3OS/c18-14(15-6-5-12-2-1-7-19-12)10-3-4-11-9-16-17-13(11)8-10/h1-4,7-9H,5-6H2,(H,15,18)(H,16,17)
InChIKeyBURLPPQQMMJBCO-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.60
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide

N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide (PubChem CID 60714994) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
PubChem CID60714994
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H13N3OS/c18-14(15-6-5-12-2-1-7-19-12)10-3-4-11-9-16-17-13(11)8-10/h1-4,7-9H,5-6H2,(H,15,18)(H,16,17)
InChIKeyBURLPPQQMMJBCO-UHFFFAOYSA-N
XLogP2.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905804
methyl 6-(1H-indazole-6-carbonylamino)hexanoate
CID 43423425
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide
CID 55569040
N-(4,4,4-trifluorobutyl)-1H-indazole-6-carboxamide
CID 79039225
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 63330822
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
CID 61242487

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide (CID 60714994) is N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide is O=C(NCCc1cccs1)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide?
The InChIKey is BURLPPQQMMJBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-14(15-6-5-12-2-1-7-19-12)10-3-4-11-9-16-17-13(11)8-10/h1-4,7-9H,5-6H2,(H,15,18)(H,16,17).
What are the key properties of N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide?
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 60714994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).