[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone

C18H28N2O2S — CID 119043710

IUPAC[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone
SMILESCc1nc(CC(C)C)c(C(=O)N2CCOCC3(CCCC3)C2)s1
InChIInChI=1S/C18H28N2O2S/c1-13(2)10-15-16(23-14(3)19-15)17(21)20-8-9-22-12-18(11-20)6-4-5-7-18/h13H,4-12H2,1-3H3
InChIKeyCIBVFLCOBSRKRF-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.68
Rot. Bonds3

About [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone

[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone (PubChem CID 119043710) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone.

Molecular Properties

Compound Name[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone
PubChem CID119043710
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone
SMILESCc1nc(CC(C)C)c(C(=O)N2CCOCC3(CCCC3)C2)s1
InChIInChI=1S/C18H28N2O2S/c1-13(2)10-15-16(23-14(3)19-15)17(21)20-8-9-22-12-18(11-20)6-4-5-7-18/h13H,4-12H2,1-3H3
InChIKeyCIBVFLCOBSRKRF-UHFFFAOYSA-N
XLogP3.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-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

[(3R)-3-aminopiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 124594351
[3-(methylamino)piperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 119493981
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 124590623
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 124590625
(4,4-dioxo-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 128669706
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 124613378
1-[[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544503
N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
CID 167857522
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(1-methylcyclohexanecarbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]methanone
CID 171318302
1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
CID 77090670
N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
CID 119159671

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone?
The IUPAC name of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone (CID 119043710) is [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone.
What is the SMILES notation for [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone?
The canonical SMILES for [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone is Cc1nc(CC(C)C)c(C(=O)N2CCOCC3(CCCC3)C2)s1.
What is the InChIKey of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone?
The InChIKey is CIBVFLCOBSRKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-13(2)10-15-16(23-14(3)19-15)17(21)20-8-9-22-12-18(11-20)6-4-5-7-18/h13H,4-12H2,1-3H3.
What are the key properties of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone?
[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone has a molecular weight of 336.50 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone is sourced from PubChem (CID 119043710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).