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

C17H22FN3O2S — CID 131688900

IUPAC[9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC2(CCN(C(=O)C3(F)CC3)CC2)C1
InChIInChI=1S/C17H22FN3O2S/c18-17(3-4-17)15(23)20-8-5-16(6-9-20)2-1-7-21(11-16)14(22)13-10-24-12-19-13/h10,12H,1-9,11H2
InChIKeySIHHLMYXSWCRJE-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.49
Rot. Bonds2

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

[9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 131688900) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is [9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID131688900
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC Name[9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC2(CCN(C(=O)C3(F)CC3)CC2)C1
InChIInChI=1S/C17H22FN3O2S/c18-17(3-4-17)15(23)20-8-5-16(6-9-20)2-1-7-21(11-16)14(22)13-10-24-12-19-13/h10,12H,1-9,11H2
InChIKeySIHHLMYXSWCRJE-UHFFFAOYSA-N
XLogP2.49
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methylbutyl)-8-(1,3-thiazol-4-ylcarbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70705315
2-Ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70767551
2,9-Diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone
CID 128924626
7-(2-Cyclohexylethyl)-2-(1,3-thiazol-4-ylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45217500
(5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26315216
1-cyclopropyl-6-(1,3-thiazole-4-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 75387004
4-Cyclopropyl-1-(1,3-thiazole-4-carbonyl)piperidine
CID 137967224
[2-[1-(Trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 140530768
(4,4-Difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 174899868
1,3-Thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63038430
1,3-Thiazol-4-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65536303
N-ethyl-1-(1,3-thiazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71998430

Frequently Asked Questions

What is the IUPAC name of [9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 131688900) is [9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCCC2(CCN(C(=O)C3(F)CC3)CC2)C1.
What is the InChIKey of [9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is SIHHLMYXSWCRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c18-17(3-4-17)15(23)20-8-5-16(6-9-20)2-1-7-21(11-16)14(22)13-10-24-12-19-13/h10,12H,1-9,11H2.
What are the key properties of [9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone?
[9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 351.45 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131688900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).