[9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

C23H33N3O2S2 — CID 123744249

IUPAC[9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCCc1cc(CCN2CCC3(CC2)CN(C(=O)c2csc(C(C)C)n2)CCO3)cs1
InChIInChI=1S/C23H33N3O2S2/c1-4-19-13-18(14-29-19)5-8-25-9-6-23(7-10-25)16-26(11-12-28-23)22(27)20-15-30-21(24-20)17(2)3/h13-15,17H,4-12,16H2,1-3H3
InChIKeyVEEHPHPNWSRHAL-UHFFFAOYSA-N
MW447.67 g/mol
LogP4.44
Rot. Bonds6

About [9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

[9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 123744249) has the molecular formula C23H33N3O2S2 and a molecular weight of 447.67 g/mol. Its IUPAC name is [9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID123744249
Molecular FormulaC23H33N3O2S2
Molecular Weight447.67 g/mol
Exact Mass447.20
IUPAC Name[9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCCc1cc(CCN2CCC3(CC2)CN(C(=O)c2csc(C(C)C)n2)CCO3)cs1
InChIInChI=1S/C23H33N3O2S2/c1-4-19-13-18(14-29-19)5-8-25-9-6-23(7-10-25)16-26(11-12-28-23)22(27)20-15-30-21(24-20)17(2)3/h13-15,17H,4-12,16H2,1-3H3
InChIKeyVEEHPHPNWSRHAL-UHFFFAOYSA-N
XLogP4.44
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.67
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

tert-butyl 3-[2-[4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]thiophen-2-yl]ethoxy]propanoate
CID 58168476
3-[2-fluoro-5-[[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]propanamide
CID 71042559
(2,2,2-trifluoroacetyl) 3-[2-[3-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanoate
CID 87217161
[9-[(4-fluoro-3-prop-1-enylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 123840563
[9-[[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethenyl]phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 78079121
5-[2-chloro-3-[[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]pentanoic acid
CID 151936131
3-[2-chloro-3-[[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenoxy]propanoic acid
CID 150652781
(2-ethyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 58168456
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 110694234
4-hydroxy-7-[1-hydroxy-2-[[4-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]methylamino]ethyl]-3H-1,3-benzothiazol-2-one
CID 67292718
[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-2-yl)methanone
CID 118562197
1-[9-(2-amino-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043300

Frequently Asked Questions

What is the IUPAC name of [9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 123744249) is [9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is CCc1cc(CCN2CCC3(CC2)CN(C(=O)c2csc(C(C)C)n2)CCO3)cs1.
What is the InChIKey of [9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is VEEHPHPNWSRHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2S2/c1-4-19-13-18(14-29-19)5-8-25-9-6-23(7-10-25)16-26(11-12-28-23)22(27)20-15-30-21(24-20)17(2)3/h13-15,17H,4-12,16H2,1-3H3.
What are the key properties of [9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
[9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 447.67 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[2-(5-ethylthiophen-3-yl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 123744249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).