3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide

C16H20N4O2S — CID 155949921

IUPAC3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1CSCC1C(=O)Nc1cc2cn[nH]c2cc1C
InChIInChI=1S/C16H20N4O2S/c1-3-4-15(21)20-9-23-8-14(20)16(22)18-12-6-11-7-17-19-13(11)5-10(12)2/h5-7,14H,3-4,8-9H2,1-2H3,(H,17,19)(H,18,22)
InChIKeyFPUSLCBFLWDNGM-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.51
Rot. Bonds4

About 3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide

3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 155949921) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID155949921
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1CSCC1C(=O)Nc1cc2cn[nH]c2cc1C
InChIInChI=1S/C16H20N4O2S/c1-3-4-15(21)20-9-23-8-14(20)16(22)18-12-6-11-7-17-19-13(11)5-10(12)2/h5-7,14H,3-4,8-9H2,1-2H3,(H,17,19)(H,18,22)
InChIKeyFPUSLCBFLWDNGM-UHFFFAOYSA-N
XLogP2.51
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 124505916
5-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 119255305
(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95568340
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604
(4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 125130071
7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid
CID 119227531
1-cyclohexyl-N-(5-methyl-1H-indazol-6-yl)azetidine-3-carboxamide
CID 128660734
2-hydroxyimino-N-(5-methyl-1H-indazol-6-yl)acetamide
CID 173074715
(4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95327328
N-(5-methyl-1H-indazol-6-yl)piperidine-3-carboxamide
CID 119317537
(4S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-pentanoyl-1,3-thiazolidine-4-carboxamide
CID 95737506
(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 95293035

Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide (CID 155949921) is 3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide is CCCC(=O)N1CSCC1C(=O)Nc1cc2cn[nH]c2cc1C.
What is the InChIKey of 3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is FPUSLCBFLWDNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-4-15(21)20-9-23-8-14(20)16(22)18-12-6-11-7-17-19-13(11)5-10(12)2/h5-7,14H,3-4,8-9H2,1-2H3,(H,17,19)(H,18,22).
What are the key properties of 3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide?
3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 155949921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).