N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide

C13H20N2O2S — CID 38108187

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CCOCC2)n1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)10-8-18-12(14-10)15-11(16)9-4-6-17-7-5-9/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyLDOVSUDHYCFKCW-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.81
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide (PubChem CID 38108187) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide
PubChem CID38108187
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CCOCC2)n1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)10-8-18-12(14-10)15-11(16)9-4-6-17-7-5-9/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyLDOVSUDHYCFKCW-UHFFFAOYSA-N
XLogP2.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide (CID 38108187) is N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide is CC(C)(C)c1csc(NC(=O)C2CCOCC2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The InChIKey is LDOVSUDHYCFKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)10-8-18-12(14-10)15-11(16)9-4-6-17-7-5-9/h8-9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 38108187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).