(1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

C17H24FN3O2S — CID 131688967

IUPAC(1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1nc(CN2CCOC3(CCN(C(=O)C4(F)CC4)CC3)C2)cs1
InChIInChI=1S/C17H24FN3O2S/c1-13-19-14(11-24-13)10-20-8-9-23-16(12-20)4-6-21(7-5-16)15(22)17(18)2-3-17/h11H,2-10,12H2,1H3
InChIKeyAKRJOOLSNFMWTD-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.15
Rot. Bonds3

About (1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

(1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 131688967) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID131688967
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC Name(1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1nc(CN2CCOC3(CCN(C(=O)C4(F)CC4)CC3)C2)cs1
InChIInChI=1S/C17H24FN3O2S/c1-13-19-14(11-24-13)10-20-8-9-23-16(12-20)4-6-21(7-5-16)15(22)17(18)2-3-17/h11H,2-10,12H2,1H3
InChIKeyAKRJOOLSNFMWTD-UHFFFAOYSA-N
XLogP2.15
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-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

1-[(5aR,9aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-cyclopropylethanone
CID 97511446
5-Methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 118739507
9-(Cyclopropylmethyl)-5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118743645
5,9-Dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118743664
9-(Cyclopropylmethyl)-5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743644
5,9-Dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743663
1-Oxa-4,9-diazaspiro[5.5]undecan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 57989146
4,4,4-Trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 56079491
4,4,4-Trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]butan-1-one
CID 56352527
[1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 56582755
[(5aR,9aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(1-fluorocyclobutyl)methanone
CID 131685001
(1-Fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 131685226

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 131688967) is (1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is Cc1nc(CN2CCOC3(CCN(C(=O)C4(F)CC4)CC3)C2)cs1.
What is the InChIKey of (1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is AKRJOOLSNFMWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c1-13-19-14(11-24-13)10-20-8-9-23-16(12-20)4-6-21(7-5-16)15(22)17(18)2-3-17/h11H,2-10,12H2,1H3.
What are the key properties of (1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
(1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 353.46 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 131688967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).