N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide

C16H18N4OS — CID 4883070

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1n[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C16H18N4OS/c1-20(2)13(14-8-5-9-22-14)10-17-16(21)15-11-6-3-4-7-12(11)18-19-15/h3-9,13H,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyJDVRULWTMXHPTB-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.66
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide (PubChem CID 4883070) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide
PubChem CID4883070
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1n[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C16H18N4OS/c1-20(2)13(14-8-5-9-22-14)10-17-16(21)15-11-6-3-4-7-12(11)18-19-15/h3-9,13H,10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyJDVRULWTMXHPTB-UHFFFAOYSA-N
XLogP2.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide (CID 4883070) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide is CN(C)C(CNC(=O)c1n[nH]c2ccccc12)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide?
The InChIKey is JDVRULWTMXHPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-20(2)13(14-8-5-9-22-14)10-17-16(21)15-11-6-3-4-7-12(11)18-19-15/h3-9,13H,10H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 4883070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).