3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide

C18H20N2O4S — CID 42280639

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C18H20N2O4S/c1-12-11-25-17(22)20(12)9-6-16(21)19-13-4-5-14-15(10-13)24-18(23-14)7-2-3-8-18/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,21)
InChIKeyRQKQWFLNTGAUNN-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.29
Rot. Bonds4

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide (PubChem CID 42280639) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
PubChem CID42280639
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C18H20N2O4S/c1-12-11-25-17(22)20(12)9-6-16(21)19-13-4-5-14-15(10-13)24-18(23-14)7-2-3-8-18/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,21)
InChIKeyRQKQWFLNTGAUNN-UHFFFAOYSA-N
XLogP3.29
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-spiro[1,3-benzodioxole-2,1'-cyclopentan]-5-ylcyclopropanecarboxamide
CID 717930
N-(1,3-benzodioxol-5-yl)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylmethylsulfanyl]acetamide
CID 2325736
N-(1,3-benzodioxol-5-yl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 2943164
(E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamide
CID 3157888
N-(1,3-benzodioxol-5-yl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 4066411
N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 4106879
N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 4547438
N~2~-{[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]carbonyl}-N-cyclopentyl-L-valinamide
CID 17578169
N-(benzo[d][1,3]dioxol-5-yl)-2-((1-(3-(dimethylamino)propyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578609
N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25480479
2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridine-3-carboxamide
CID 25516106
N-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-1-yl)propanamide
CID 773030

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide (CID 42280639) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide is Cc1csc(=O)n1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
The InChIKey is RQKQWFLNTGAUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12-11-25-17(22)20(12)9-6-16(21)19-13-4-5-14-15(10-13)24-18(23-14)7-2-3-8-18/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,21).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide has a molecular weight of 360.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide is sourced from PubChem (CID 42280639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).