5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C15H22N4O3S — CID 118739507

IUPAC5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCc1nc(CN2C(=O)COC3(CCN(C(N)=O)CC3)C2C)cs1
InChIInChI=1S/C15H22N4O3S/c1-10-15(3-5-18(6-4-15)14(16)21)22-8-13(20)19(10)7-12-9-23-11(2)17-12/h9-10H,3-8H2,1-2H3,(H2,16,21)
InChIKeySMPZZLDITGKOOQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.11
Rot. Bonds2

About 5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 118739507) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID118739507
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCc1nc(CN2C(=O)COC3(CCN(C(N)=O)CC3)C2C)cs1
InChIInChI=1S/C15H22N4O3S/c1-10-15(3-5-18(6-4-15)14(16)21)22-8-13(20)19(10)7-12-9-23-11(2)17-12/h9-10H,3-8H2,1-2H3,(H2,16,21)
InChIKeySMPZZLDITGKOOQ-UHFFFAOYSA-N
XLogP1.11
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 118739507) is 5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is Cc1nc(CN2C(=O)COC3(CCN(C(N)=O)CC3)C2C)cs1.
What is the InChIKey of 5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is SMPZZLDITGKOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-10-15(3-5-18(6-4-15)14(16)21)22-8-13(20)19(10)7-12-9-23-11(2)17-12/h9-10H,3-8H2,1-2H3,(H2,16,21).
What are the key properties of 5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 118739507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).