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

C20H24FN3OS — CID 3235038

IUPAC(3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C20H24FN3OS/c21-17-4-1-3-16(13-17)19(25)24-10-6-20(7-11-24)5-2-9-23(15-20)14-18-22-8-12-26-18/h1,3-4,8,12-13H,2,5-7,9-11,14-15H2
InChIKeyNOKRKVHGRBJJJA-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.80
Rot. Bonds3

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

(3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 3235038) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID3235038
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name(3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C20H24FN3OS/c21-17-4-1-3-16(13-17)19(25)24-10-6-20(7-11-24)5-2-9-23(15-20)14-18-22-8-12-26-18/h1,3-4,8,12-13H,2,5-7,9-11,14-15H2
InChIKeyNOKRKVHGRBJJJA-UHFFFAOYSA-N
XLogP3.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3234433
[3,5-Bis(trifluoromethyl)phenyl]-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3234935
4-(3-(3-carbamoylphenyl)-1-(thiazol-2-ylmethyl)piperidin-3-yl)-N,N-diethylbenzamide
CID 46190939
Pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3232838
[3,5-Bis(trifluoromethyl)phenyl]-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234090
(3-Fluorophenyl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234271
[3,5-bis(trifluoromethyl)phenyl]-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234273
(3-fluorophenyl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234541
(4-Methylphenyl)-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methanone
CID 44535165
4-fluoro-N-(2-oxo-2-(phenyl(thiazol-2-yl)methylamino)ethyl)benzamide
CID 44579234
1-[(4-Cyclopropyl-1,3-thiazol-2-yl)methyl]-4-(2-fluorobenzoyl)piperazine
CID 30860479
1-[(2-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 24817562

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 3235038) is (3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is O=C(c1cccc(F)c1)N1CCC2(CCCN(Cc3nccs3)C2)CC1.
What is the InChIKey of (3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is NOKRKVHGRBJJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c21-17-4-1-3-16(13-17)19(25)24-10-6-20(7-11-24)5-2-9-23(15-20)14-18-22-8-12-26-18/h1,3-4,8,12-13H,2,5-7,9-11,14-15H2.
What are the key properties of (3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
(3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 3235038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).