N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C13H20N4O3S — CID 127667649

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESO=C(NCCN1CCCS1(=O)=O)C1CCc2[nH]ncc2C1
InChIInChI=1S/C13H20N4O3S/c18-13(10-2-3-12-11(8-10)9-15-16-12)14-4-6-17-5-1-7-21(17,19)20/h9-10H,1-8H2,(H,14,18)(H,15,16)
InChIKeyKWWBCVUGCPQBFH-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.33
Rot. Bonds4

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 127667649) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID127667649
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESO=C(NCCN1CCCS1(=O)=O)C1CCc2[nH]ncc2C1
InChIInChI=1S/C13H20N4O3S/c18-13(10-2-3-12-11(8-10)9-15-16-12)14-4-6-17-5-1-7-21(17,19)20/h9-10H,1-8H2,(H,14,18)(H,15,16)
InChIKeyKWWBCVUGCPQBFH-UHFFFAOYSA-N
XLogP-0.33
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 127667649) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is O=C(NCCN1CCCS1(=O)=O)C1CCc2[nH]ncc2C1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is KWWBCVUGCPQBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c18-13(10-2-3-12-11(8-10)9-15-16-12)14-4-6-17-5-1-7-21(17,19)20/h9-10H,1-8H2,(H,14,18)(H,15,16).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 312.40 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 127667649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).