3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide

C18H21N5O3S — CID 56711030

IUPAC3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide
SMILESCN1CC2(CCN(Cc3cccc(C(=O)Nc4cnns4)c3)CC2)OC1=O
InChIInChI=1S/C18H21N5O3S/c1-22-12-18(26-17(22)25)5-7-23(8-6-18)11-13-3-2-4-14(9-13)16(24)20-15-10-19-21-27-15/h2-4,9-10H,5-8,11-12H2,1H3,(H,20,24)
InChIKeyGEPPBGMQFDHADU-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.21
Rot. Bonds4

About 3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide

3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide (PubChem CID 56711030) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide
PubChem CID56711030
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide
SMILESCN1CC2(CCN(Cc3cccc(C(=O)Nc4cnns4)c3)CC2)OC1=O
InChIInChI=1S/C18H21N5O3S/c1-22-12-18(26-17(22)25)5-7-23(8-6-18)11-13-3-2-4-14(9-13)16(24)20-15-10-19-21-27-15/h2-4,9-10H,5-8,11-12H2,1H3,(H,20,24)
InChIKeyGEPPBGMQFDHADU-UHFFFAOYSA-N
XLogP2.21
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide (CID 56711030) is 3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide is CN1CC2(CCN(Cc3cccc(C(=O)Nc4cnns4)c3)CC2)OC1=O.
What is the InChIKey of 3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide?
The InChIKey is GEPPBGMQFDHADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-22-12-18(26-17(22)25)5-7-23(8-6-18)11-13-3-2-4-14(9-13)16(24)20-15-10-19-21-27-15/h2-4,9-10H,5-8,11-12H2,1H3,(H,20,24).
What are the key properties of 3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide?
3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide has a molecular weight of 387.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 56711030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).