2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide

C18H20N2O3S — CID 86913347

IUPAC2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1
InChIInChI=1S/C18H20N2O3S/c1-11-16(24-12(2)19-11)17(21)20-13-6-7-14-15(10-13)23-18(22-14)8-4-3-5-9-18/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,21)
InChIKeyOQNLSQXFOKOYIH-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.44
Rot. Bonds2

About 2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide (PubChem CID 86913347) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide
PubChem CID86913347
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1
InChIInChI=1S/C18H20N2O3S/c1-11-16(24-12(2)19-11)17(21)20-13-6-7-14-15(10-13)23-18(22-14)8-4-3-5-9-18/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,21)
InChIKeyOQNLSQXFOKOYIH-UHFFFAOYSA-N
XLogP4.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylthiophene-2-carboxamide
CID 29365310
2-ethyl-4,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43044266
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1-benzothiophene-2-carboxamide
CID 9438065
6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 51333086
4-ethyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylthiadiazole-5-carboxamide
CID 17412093
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173901
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 36852413
2-(methylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 120703453
3-fluoro-4-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26707616
2-bromo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 24563091
6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide
CID 29365197
2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide
CID 55790144

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide (CID 86913347) is 2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1.
What is the InChIKey of 2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OQNLSQXFOKOYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-16(24-12(2)19-11)17(21)20-13-6-7-14-15(10-13)23-18(22-14)8-4-3-5-9-18/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86913347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).