N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide

C16H17N5OS — CID 11232683

IUPACN-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2cccs2)CC1
InChIInChI=1S/C16H17N5OS/c22-16(17-15-12-4-1-2-5-13(12)18-19-15)21-9-7-20(8-10-21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H2,17,18,19,22)
InChIKeyOAAFTZLJXPGONH-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.98
Rot. Bonds2

About N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide

N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 11232683) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID11232683
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2cccs2)CC1
InChIInChI=1S/C16H17N5OS/c22-16(17-15-12-4-1-2-5-13(12)18-19-15)21-9-7-20(8-10-21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H2,17,18,19,22)
InChIKeyOAAFTZLJXPGONH-UHFFFAOYSA-N
XLogP2.98
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide (CID 11232683) is N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCN(c2cccs2)CC1.
What is the InChIKey of N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is OAAFTZLJXPGONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c22-16(17-15-12-4-1-2-5-13(12)18-19-15)21-9-7-20(8-10-21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H2,17,18,19,22).
What are the key properties of N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide?
N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-4-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 11232683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).