(1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C16H22FN3OS — CID 131685072

IUPAC(1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(N1CCC2(CCN(Cc3nccs3)C2)CC1)C1(F)CC1
InChIInChI=1S/C16H22FN3OS/c17-16(1-2-16)14(21)20-8-4-15(5-9-20)3-7-19(12-15)11-13-18-6-10-22-13/h6,10H,1-5,7-9,11-12H2
InChIKeyCTIHNSDCJTYCFV-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.46
Rot. Bonds3

About (1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

(1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 131685072) has the molecular formula C16H22FN3OS and a molecular weight of 323.44 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID131685072
Molecular FormulaC16H22FN3OS
Molecular Weight323.44 g/mol
Exact Mass323.15
IUPAC Name(1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(N1CCC2(CCN(Cc3nccs3)C2)CC1)C1(F)CC1
InChIInChI=1S/C16H22FN3OS/c17-16(1-2-16)14(21)20-8-4-15(5-9-20)3-7-19(12-15)11-13-18-6-10-22-13/h6,10H,1-5,7-9,11-12H2
InChIKeyCTIHNSDCJTYCFV-UHFFFAOYSA-N
XLogP2.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-Thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 3234275
1-[9-(1,3-Thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 3232808
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
2-Ethyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370133
2-(2-Methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370161
2-(2-Methoxyethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370188
N,N-dimethyl-2-[1-oxo-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370241
2-Methyl-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97393149
1-(Cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 118746773
1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906
1-{2-[Methyl(1,3-thiazol-2-ylmethyl)amino]ethyl}piperidin-2-one
CID 74248707
(5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97188277

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 131685072) is (1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is O=C(N1CCC2(CCN(Cc3nccs3)C2)CC1)C1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is CTIHNSDCJTYCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3OS/c17-16(1-2-16)14(21)20-8-4-15(5-9-20)3-7-19(12-15)11-13-18-6-10-22-13/h6,10H,1-5,7-9,11-12H2.
What are the key properties of (1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 131685072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).