(2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone

C14H19NO2S — CID 105119078

IUPAC(2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESCc1nc(C(=O)C2CCOC3(CCCC3)C2)cs1
InChIInChI=1S/C14H19NO2S/c1-10-15-12(9-18-10)13(16)11-4-7-17-14(8-11)5-2-3-6-14/h9,11H,2-8H2,1H3
InChIKeyHWCZCTFLNYVICA-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.37
Rot. Bonds2

About (2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone

(2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone (PubChem CID 105119078) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
PubChem CID105119078
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
SMILESCc1nc(C(=O)C2CCOC3(CCCC3)C2)cs1
InChIInChI=1S/C14H19NO2S/c1-10-15-12(9-18-10)13(16)11-4-7-17-14(8-11)5-2-3-6-14/h9,11H,2-8H2,1H3
InChIKeyHWCZCTFLNYVICA-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
CID 79913229
2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79922112
(5-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787732
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(2,6-dimethyl-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 107502445
(3-methylcyclopentyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 130815632
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783846
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170113
(3-methoxythiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787276
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone (CID 105119078) is (2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone is Cc1nc(C(=O)C2CCOC3(CCCC3)C2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is HWCZCTFLNYVICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10-15-12(9-18-10)13(16)11-4-7-17-14(8-11)5-2-3-6-14/h9,11H,2-8H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone?
(2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 265.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 105119078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).