2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide

C17H18N4O2S — CID 56899725

IUPAC2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide
SMILESCN1C(=O)C2(CCN(c3nc(C(N)=O)cs3)CC2)c2ccccc21
InChIInChI=1S/C17H18N4O2S/c1-20-13-5-3-2-4-11(13)17(15(20)23)6-8-21(9-7-17)16-19-12(10-24-16)14(18)22/h2-5,10H,6-9H2,1H3,(H2,18,22)
InChIKeyPZJMTYYIPHLVIX-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.76
Rot. Bonds2

About 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide

2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide (PubChem CID 56899725) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide
PubChem CID56899725
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide
SMILESCN1C(=O)C2(CCN(c3nc(C(N)=O)cs3)CC2)c2ccccc21
InChIInChI=1S/C17H18N4O2S/c1-20-13-5-3-2-4-11(13)17(15(20)23)6-8-21(9-7-17)16-19-12(10-24-16)14(18)22/h2-5,10H,6-9H2,1H3,(H2,18,22)
InChIKeyPZJMTYYIPHLVIX-UHFFFAOYSA-N
XLogP1.76
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637
1-methyl-1'-(1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97386070
CID 59909654
CID 59909654
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1'-(1-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914358
1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 97452598
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 22242781
2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 133130632
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 56915501

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide (CID 56899725) is 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide is CN1C(=O)C2(CCN(c3nc(C(N)=O)cs3)CC2)c2ccccc21.
What is the InChIKey of 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PZJMTYYIPHLVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-20-13-5-3-2-4-11(13)17(15(20)23)6-8-21(9-7-17)16-19-12(10-24-16)14(18)22/h2-5,10H,6-9H2,1H3,(H2,18,22).
What are the key properties of 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide?
2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56899725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).