(5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

C15H20N6O3S — CID 126445282

IUPAC(5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCc1nn2cc(CNC(=O)N3CCC[C@@]4(CN(C)C(=O)O4)C3)nc2s1
InChIInChI=1S/C15H20N6O3S/c1-10-18-21-7-11(17-13(21)25-10)6-16-12(22)20-5-3-4-15(9-20)8-19(2)14(23)24-15/h7H,3-6,8-9H2,1-2H3,(H,16,22)/t15-/m1/s1
InChIKeyRLJIBIJUCHDMHC-OAHLLOKOSA-N
MW364.43 g/mol
LogP1.23
Rot. Bonds2

About (5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

(5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 126445282) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is (5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID126445282
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name(5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCc1nn2cc(CNC(=O)N3CCC[C@@]4(CN(C)C(=O)O4)C3)nc2s1
InChIInChI=1S/C15H20N6O3S/c1-10-18-21-7-11(17-13(21)25-10)6-16-12(22)20-5-3-4-15(9-20)8-19(2)14(23)24-15/h7H,3-6,8-9H2,1-2H3,(H,16,22)/t15-/m1/s1
InChIKeyRLJIBIJUCHDMHC-OAHLLOKOSA-N
XLogP1.23
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (CID 126445282) is (5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is Cc1nn2cc(CNC(=O)N3CCC[C@@]4(CN(C)C(=O)O4)C3)nc2s1.
What is the InChIKey of (5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is RLJIBIJUCHDMHC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-10-18-21-7-11(17-13(21)25-10)6-16-12(22)20-5-3-4-15(9-20)8-19(2)14(23)24-15/h7H,3-6,8-9H2,1-2H3,(H,16,22)/t15-/m1/s1.
What are the key properties of (5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
(5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 126445282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).