cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

C16H23N3O2S — CID 134072925

IUPACcyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C(C1CC1)N1CCCC2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C16H23N3O2S/c20-14(13-2-3-13)18-6-1-4-16(10-18)11-19(7-8-21-12-16)15-17-5-9-22-15/h5,9,13H,1-4,6-8,10-12H2
InChIKeyRQMKVPRRIAIHAW-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.00
Rot. Bonds2

About cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 134072925) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
PubChem CID134072925
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Namecyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C(C1CC1)N1CCCC2(COCCN(c3nccs3)C2)C1
InChIInChI=1S/C16H23N3O2S/c20-14(13-2-3-13)18-6-1-4-16(10-18)11-19(7-8-21-12-16)15-17-5-9-22-15/h5,9,13H,1-4,6-8,10-12H2
InChIKeyRQMKVPRRIAIHAW-UHFFFAOYSA-N
XLogP2.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Fluorocyclopropyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131683876
(1-Fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684110
(3,3-Difluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684215
(1-Fluorocyclobutyl)-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 131685075
(1-Fluorocyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone
CID 131685187
11-(2-Methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155850336
(3-Hydroxycyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155869680
2-(Tetrahydro-2-furanylmethyl)-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72872887
N-[(4-methylmorpholin-2-yl)methyl]-2-(oxan-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 75373715
3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide
CID 75373730
2-[[(2S)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97124678
2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97124679

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The IUPAC name of cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 134072925) is cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The canonical SMILES for cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is O=C(C1CC1)N1CCCC2(COCCN(c3nccs3)C2)C1.
What is the InChIKey of cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The InChIKey is RQMKVPRRIAIHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-14(13-2-3-13)18-6-1-4-16(10-18)11-19(7-8-21-12-16)15-17-5-9-22-15/h5,9,13H,1-4,6-8,10-12H2.
What are the key properties of cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 321.45 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 134072925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).