2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C20H23N3O3S — CID 46958669

IUPAC2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)Nc3nc(C)cs3)CC1)O2
InChIInChI=1S/C20H23N3O3S/c1-13-3-4-17-15(9-13)16(24)10-20(26-17)5-7-23(8-6-20)11-18(25)22-19-21-14(2)12-27-19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,21,22,25)
InChIKeyMGUZDRFNPGRVRK-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.20
Rot. Bonds3

About 2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 46958669) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID46958669
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)Nc3nc(C)cs3)CC1)O2
InChIInChI=1S/C20H23N3O3S/c1-13-3-4-17-15(9-13)16(24)10-20(26-17)5-7-23(8-6-20)11-18(25)22-19-21-14(2)12-27-19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,21,22,25)
InChIKeyMGUZDRFNPGRVRK-UHFFFAOYSA-N
XLogP3.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide
CID 16674264
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 113249885
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)acetamide
CID 46973216
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
N-ethyl-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781779
butyl 6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108734524
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55857016
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
N-(4-methyl-1,3-thiazol-2-yl)-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 20931286
2-(6-methyl-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 110213149

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 46958669) is 2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)Nc3nc(C)cs3)CC1)O2.
What is the InChIKey of 2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MGUZDRFNPGRVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13-3-4-17-15(9-13)16(24)10-20(26-17)5-7-23(8-6-20)11-18(25)22-19-21-14(2)12-27-19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,21,22,25).
What are the key properties of 2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46958669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).