(5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

C18H20FN3OS — CID 97373990

IUPAC(5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cs1
InChIInChI=1S/C18H20FN3OS/c1-13-20-15(10-24-13)9-21-6-5-18(11-21)8-17(23)22(12-18)16-4-2-3-14(19)7-16/h2-4,7,10H,5-6,8-9,11-12H2,1H3/t18-/m1/s1
InChIKeyXDTFCHOIAWSZFZ-GOSISDBHSA-N
MW345.44 g/mol
LogP3.22
Rot. Bonds3

About (5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

(5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97373990) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is (5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97373990
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name(5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cs1
InChIInChI=1S/C18H20FN3OS/c1-13-20-15(10-24-13)9-21-6-5-18(11-21)8-17(23)22(12-18)16-4-2-3-14(19)7-16/h2-4,7,10H,5-6,8-9,11-12H2,1H3/t18-/m1/s1
InChIKeyXDTFCHOIAWSZFZ-GOSISDBHSA-N
XLogP3.22
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985939
7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131659854
2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131660592
2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155847202
(5S)-7-(furan-3-ylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97374162
4-[[4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 77097298
2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
CID 97392832
9-[(3-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681387
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1'-[(5-methylthiophen-2-yl)methyl]spiro[6,8-dihydropyrrolo[2,1-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131673773
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118743886
2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97473007
4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871466

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 97373990) is (5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is Cc1nc(CN2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cs1.
What is the InChIKey of (5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is XDTFCHOIAWSZFZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-13-20-15(10-24-13)9-21-6-5-18(11-21)8-17(23)22(12-18)16-4-2-3-14(19)7-16/h2-4,7,10H,5-6,8-9,11-12H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
(5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 345.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97373990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).