N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide

C16H25N5O2S — CID 72837932

IUPACN-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
SMILESCc1nnsc1CN(C)C(=O)CN1CC2(CCN(C)CC2)CC1=O
InChIInChI=1S/C16H25N5O2S/c1-12-13(24-18-17-12)9-20(3)15(23)10-21-11-16(8-14(21)22)4-6-19(2)7-5-16/h4-11H2,1-3H3
InChIKeyAFLBCZSWLQLCNB-UHFFFAOYSA-N
MW351.48 g/mol
LogP0.75
Rot. Bonds4

About N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide

N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide (PubChem CID 72837932) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
PubChem CID72837932
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC NameN-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
SMILESCc1nnsc1CN(C)C(=O)CN1CC2(CCN(C)CC2)CC1=O
InChIInChI=1S/C16H25N5O2S/c1-12-13(24-18-17-12)9-20(3)15(23)10-21-11-16(8-14(21)22)4-6-19(2)7-5-16/h4-11H2,1-3H3
InChIKeyAFLBCZSWLQLCNB-UHFFFAOYSA-N
XLogP0.75
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide (CID 72837932) is N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide is Cc1nnsc1CN(C)C(=O)CN1CC2(CCN(C)CC2)CC1=O.
What is the InChIKey of N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
The InChIKey is AFLBCZSWLQLCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-12-13(24-18-17-12)9-20(3)15(23)10-21-11-16(8-14(21)22)4-6-19(2)7-5-16/h4-11H2,1-3H3.
What are the key properties of N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide?
N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide has a molecular weight of 351.48 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[(4-methylthiadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 72837932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).