N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C15H24N4O2S — CID 97372281

IUPACN,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C15H24N4O2S/c1-17(2)14(20)19-6-3-15(4-7-19)12-18(8-9-21-15)11-13-16-5-10-22-13/h5,10H,3-4,6-9,11-12H2,1-2H3
InChIKeyNCCGPJTXXNPKPH-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.49
Rot. Bonds2

About N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 97372281) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID97372281
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C15H24N4O2S/c1-17(2)14(20)19-6-3-15(4-7-19)12-18(8-9-21-15)11-13-16-5-10-22-13/h5,10H,3-4,6-9,11-12H2,1-2H3
InChIKeyNCCGPJTXXNPKPH-UHFFFAOYSA-N
XLogP1.49
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 97372281) is N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is CN(C)C(=O)N1CCC2(CC1)CN(Cc1nccs1)CCO2.
What is the InChIKey of N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is NCCGPJTXXNPKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-17(2)14(20)19-6-3-15(4-7-19)12-18(8-9-21-15)11-13-16-5-10-22-13/h5,10H,3-4,6-9,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 97372281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).