3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide

C13H20N2O2S — CID 128712971

IUPAC3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCC(C)(C)C1CC(C(=O)NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)9-4-8(5-9)11(16)14-6-10-7-18-12(17)15-10/h7-9H,4-6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyOIURTMCIPHMTHM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.12
Rot. Bonds3

About 3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide

3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 128712971) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide
PubChem CID128712971
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCC(C)(C)C1CC(C(=O)NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)9-4-8(5-9)11(16)14-6-10-7-18-12(17)15-10/h7-9H,4-6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyOIURTMCIPHMTHM-UHFFFAOYSA-N
XLogP2.12
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide (CID 128712971) is 3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide is CC(C)(C)C1CC(C(=O)NCc2csc(=O)[nH]2)C1.
What is the InChIKey of 3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is OIURTMCIPHMTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)9-4-8(5-9)11(16)14-6-10-7-18-12(17)15-10/h7-9H,4-6H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide?
3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 128712971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).