1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

C20H24FN3OS — CID 131681081

IUPAC1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CCC2(CCCN(Cc3nccs3)CC2)N1Cc1ccc(F)cc1
InChIInChI=1S/C20H24FN3OS/c21-17-4-2-16(3-5-17)14-24-19(25)6-8-20(24)7-1-11-23(12-9-20)15-18-22-10-13-26-18/h2-5,10,13H,1,6-9,11-12,14-15H2
InChIKeyVIHBWSMDFAYGHE-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.83
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131681081) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131681081
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CCC2(CCCN(Cc3nccs3)CC2)N1Cc1ccc(F)cc1
InChIInChI=1S/C20H24FN3OS/c21-17-4-2-16(3-5-17)14-24-19(25)6-8-20(24)7-1-11-23(12-9-20)15-18-22-10-13-26-18/h2-5,10,13H,1,6-9,11-12,14-15H2
InChIKeyVIHBWSMDFAYGHE-UHFFFAOYSA-N
XLogP3.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one 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

9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092
(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370894
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
9-[(4-fluorophenyl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.6]undecan-2-one
CID 134076658
1-(pyridin-4-ylmethyl)-9-(thiophen-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155825671
4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986244
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131663162
9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681519
1-[(4-fluorophenyl)methyl]-9-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;formic acid
CID 155864802
2-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazole
CID 97396857
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681147

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131681081) is 1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is O=C1CCC2(CCCN(Cc3nccs3)CC2)N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is VIHBWSMDFAYGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c21-17-4-2-16(3-5-17)14-24-19(25)6-8-20(24)7-1-11-23(12-9-20)15-18-22-10-13-26-18/h2-5,10,13H,1,6-9,11-12,14-15H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 373.50 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131681081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).