N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C17H20N4O3S — CID 110621336

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C17H20N4O3S/c22-17(16-14-7-1-2-8-15(14)19-20-16)18-12-5-3-6-13(11-12)21-9-4-10-25(21,23)24/h3,5-6,11H,1-2,4,7-10H2,(H,18,22)(H,19,20)
InChIKeyHNHSYWNCMLJKCI-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.08
Rot. Bonds3

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110621336) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110621336
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C17H20N4O3S/c22-17(16-14-7-1-2-8-15(14)19-20-16)18-12-5-3-6-13(11-12)21-9-4-10-25(21,23)24/h3,5-6,11H,1-2,4,7-10H2,(H,18,22)(H,19,20)
InChIKeyHNHSYWNCMLJKCI-UHFFFAOYSA-N
XLogP2.08
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110415994
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
CID 110388929
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18138639
N-(3-ethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 110089442
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
CID 45493330
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
3-chloro-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505513
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7638785
N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110621336) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is HNHSYWNCMLJKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-17(16-14-7-1-2-8-15(14)19-20-16)18-12-5-3-6-13(11-12)21-9-4-10-25(21,23)24/h3,5-6,11H,1-2,4,7-10H2,(H,18,22)(H,19,20).
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110621336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).