N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C17H16N4OS — CID 71710287

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(NCCc1nccs1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C17H16N4OS/c22-17(19-8-7-14-18-9-10-23-14)16-13-6-5-11-3-1-2-4-12(11)15(13)20-21-16/h1-4,9-10H,5-8H2,(H,19,22)(H,20,21)
InChIKeyMJOZXCDGDRJROE-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 71710287) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID71710287
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(NCCc1nccs1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C17H16N4OS/c22-17(19-8-7-14-18-9-10-23-14)16-13-6-5-11-3-1-2-4-12(11)15(13)20-21-16/h1-4,9-10H,5-8H2,(H,19,22)(H,20,21)
InChIKeyMJOZXCDGDRJROE-UHFFFAOYSA-N
XLogP2.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 71710287) is N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is O=C(NCCc1nccs1)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is MJOZXCDGDRJROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-17(19-8-7-14-18-9-10-23-14)16-13-6-5-11-3-1-2-4-12(11)15(13)20-21-16/h1-4,9-10H,5-8H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 71710287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).