7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one

C17H16ClN3O2S — CID 46943168

IUPAC7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one
SMILESCc1nc(CN2C(=O)C3(CCC3)ON=C2c2cccc(Cl)c2)cs1
InChIInChI=1S/C17H16ClN3O2S/c1-11-19-14(10-24-11)9-21-15(12-4-2-5-13(18)8-12)20-23-17(16(21)22)6-3-7-17/h2,4-5,8,10H,3,6-7,9H2,1H3
InChIKeyXVBFYZWDJONZMN-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.75
Rot. Bonds3

About 7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one

7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one (PubChem CID 46943168) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one.

Molecular Properties

Compound Name7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one
PubChem CID46943168
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one
SMILESCc1nc(CN2C(=O)C3(CCC3)ON=C2c2cccc(Cl)c2)cs1
InChIInChI=1S/C17H16ClN3O2S/c1-11-19-14(10-24-11)9-21-15(12-4-2-5-13(18)8-12)20-23-17(16(21)22)6-3-7-17/h2,4-5,8,10H,3,6-7,9H2,1H3
InChIKeyXVBFYZWDJONZMN-UHFFFAOYSA-N
XLogP3.75
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,2,4-oxadiazole
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5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione
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3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 115610775
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 87007135
3-(3-chlorophenyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2590665
3-(4-chlorophenyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 155986186
5-(3-chlorophenyl)-5-methyl-3-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56521213
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118743886
1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 142659766
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469660
1-(3-chlorophenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 75554214

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one?
The IUPAC name of 7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one (CID 46943168) is 7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one.
What is the SMILES notation for 7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one?
The canonical SMILES for 7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one is Cc1nc(CN2C(=O)C3(CCC3)ON=C2c2cccc(Cl)c2)cs1.
What is the InChIKey of 7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one?
The InChIKey is XVBFYZWDJONZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-11-19-14(10-24-11)9-21-15(12-4-2-5-13(18)8-12)20-23-17(16(21)22)6-3-7-17/h2,4-5,8,10H,3,6-7,9H2,1H3.
What are the key properties of 7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one?
7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one has a molecular weight of 361.85 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxa-6,8-diazaspiro[3.5]non-6-en-9-one is sourced from PubChem (CID 46943168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).