4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide

C13H21N3O2S — CID 75378282

IUPAC4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide
SMILESCCc1nc(CNCC2(C(N)=O)CCOCC2)cs1
InChIInChI=1S/C13H21N3O2S/c1-2-11-16-10(8-19-11)7-15-9-13(12(14)17)3-5-18-6-4-13/h8,15H,2-7,9H2,1H3,(H2,14,17)
InChIKeyOAHFDAMTWGBNOU-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.08
Rot. Bonds6

About 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide

4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide (PubChem CID 75378282) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide
PubChem CID75378282
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide
SMILESCCc1nc(CNCC2(C(N)=O)CCOCC2)cs1
InChIInChI=1S/C13H21N3O2S/c1-2-11-16-10(8-19-11)7-15-9-13(12(14)17)3-5-18-6-4-13/h8,15H,2-7,9H2,1H3,(H2,14,17)
InChIKeyOAHFDAMTWGBNOU-UHFFFAOYSA-N
XLogP1.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide (CID 75378282) is 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide is CCc1nc(CNCC2(C(N)=O)CCOCC2)cs1.
What is the InChIKey of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide?
The InChIKey is OAHFDAMTWGBNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-11-16-10(8-19-11)7-15-9-13(12(14)17)3-5-18-6-4-13/h8,15H,2-7,9H2,1H3,(H2,14,17).
What are the key properties of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide?
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 75378282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).