4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide

C13H18N2O2S — CID 122276409

IUPAC4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCC12CCOCC2
InChIInChI=1S/C13H18N2O2S/c1-9-11(18-8-14-9)12(16)15-10-2-3-13(10)4-6-17-7-5-13/h8,10H,2-7H2,1H3,(H,15,16)
InChIKeyXOSSLPLBEFNASN-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.14
Rot. Bonds2

About 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide

4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 122276409) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID122276409
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCC12CCOCC2
InChIInChI=1S/C13H18N2O2S/c1-9-11(18-8-14-9)12(16)15-10-2-3-13(10)4-6-17-7-5-13/h8,10H,2-7H2,1H3,(H,15,16)
InChIKeyXOSSLPLBEFNASN-UHFFFAOYSA-N
XLogP2.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide (CID 122276409) is 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCC12CCOCC2.
What is the InChIKey of 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is XOSSLPLBEFNASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-11(18-8-14-9)12(16)15-10-2-3-13(10)4-6-17-7-5-13/h8,10H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122276409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).