4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C16H22N2OS — CID 47460094

IUPAC4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CC3CC4CC(C3)CC2C4)s1
InChIInChI=1S/C16H22N2OS/c1-9-15(20-10(2)17-9)16(19)18-8-13-4-11-3-12(5-13)7-14(18)6-11/h11-14H,3-8H2,1-2H3
InChIKeyINESPBOICYNSFT-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.41
Rot. Bonds1

About 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 47460094) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID47460094
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CC3CC4CC(C3)CC2C4)s1
InChIInChI=1S/C16H22N2OS/c1-9-15(20-10(2)17-9)16(19)18-8-13-4-11-3-12(5-13)7-14(18)6-11/h11-14H,3-8H2,1-2H3
InChIKeyINESPBOICYNSFT-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

(1R*,5R*)-6-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)carbonyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133134916
1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-N,N-dimethyl-4-azepanamine
CID 56893983
(1R,5R)-6-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 72854722
1-(1-Adamantyl)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]piperazine
CID 56907008
Cyclobutyl-[6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 168452028
(2,4-Dimethyl-thiazol-5-yl)-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-yl)-methanone
CID 11335336
3-Azabicyclo[3.2.2]nonan-3-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 11391436
(5-Carbamoyl-4-methyl-1,3-thiazol-2-yl) 3-azabicyclo[3.2.2]nonane-3-carbodithioate
CID 21446800
2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 58475112
N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59721455
N-(1-adamantylmethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9505119
N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47240135

Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 47460094) is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CC3CC4CC(C3)CC2C4)s1.
What is the InChIKey of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is INESPBOICYNSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-9-15(20-10(2)17-9)16(19)18-8-13-4-11-3-12(5-13)7-14(18)6-11/h11-14H,3-8H2,1-2H3.
What are the key properties of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 290.43 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 47460094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).