N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide

C19H20N4O3S — CID 10110570

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C19H20N4O3S/c24-18(10-7-14-5-2-1-3-6-14)20-19-16-13-15(8-9-17(16)21-22-19)23-11-4-12-27(23,25)26/h1-3,5-6,8-9,13H,4,7,10-12H2,(H2,20,21,22,24)
InChIKeyDFLYFRZZSPPEAG-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.67
Rot. Bonds5

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide (PubChem CID 10110570) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide
PubChem CID10110570
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C19H20N4O3S/c24-18(10-7-14-5-2-1-3-6-14)20-19-16-13-15(8-9-17(16)21-22-19)23-11-4-12-27(23,25)26/h1-3,5-6,8-9,13H,4,7,10-12H2,(H2,20,21,22,24)
InChIKeyDFLYFRZZSPPEAG-UHFFFAOYSA-N
XLogP2.67
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide
CID 10201816
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide
CID 10160190
2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide
CID 10203520
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
CID 10184828
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 10142705
4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid
CID 154781594
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
CID 30697500
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 55815176
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 110621350
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-(3-methylphenyl)propanamide
CID 55932837

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide (CID 10110570) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide?
The InChIKey is DFLYFRZZSPPEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-18(10-7-14-5-2-1-3-6-14)20-19-16-13-15(8-9-17(16)21-22-19)23-11-4-12-27(23,25)26/h1-3,5-6,8-9,13H,4,7,10-12H2,(H2,20,21,22,24).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide has a molecular weight of 384.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 10110570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).