10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C17H29N5O2S — CID 70765116

IUPAC10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CCC2(CCC1=O)CN(Cc1snnc1C)CCN2C
InChIInChI=1S/C17H29N5O2S/c1-14-15(25-19-18-14)12-21-9-8-20(2)17(13-21)5-4-16(23)22(7-6-17)10-11-24-3/h4-13H2,1-3H3
InChIKeyRXSRWAVYRSCNJW-UHFFFAOYSA-N
MW367.52 g/mol
LogP0.99
Rot. Bonds5

About 10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70765116) has the molecular formula C17H29N5O2S and a molecular weight of 367.52 g/mol. Its IUPAC name is 10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70765116
Molecular FormulaC17H29N5O2S
Molecular Weight367.52 g/mol
Exact Mass367.20
IUPAC Name10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CCC2(CCC1=O)CN(Cc1snnc1C)CCN2C
InChIInChI=1S/C17H29N5O2S/c1-14-15(25-19-18-14)12-21-9-8-20(2)17(13-21)5-4-16(23)22(7-6-17)10-11-24-3/h4-13H2,1-3H3
InChIKeyRXSRWAVYRSCNJW-UHFFFAOYSA-N
XLogP0.99
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70765116) is 10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is COCCN1CCC2(CCC1=O)CN(Cc1snnc1C)CCN2C.
What is the InChIKey of 10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is RXSRWAVYRSCNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2S/c1-14-15(25-19-18-14)12-21-9-8-20(2)17(13-21)5-4-16(23)22(7-6-17)10-11-24-3/h4-13H2,1-3H3.
What are the key properties of 10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 367.52 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70765116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).