4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide

C12H18N2O2S — CID 146131397

IUPAC4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide
SMILESCCC1(C(=O)NCc2nccs2)CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-2-12(3-6-16-7-4-12)11(15)14-9-10-13-5-8-17-10/h5,8H,2-4,6-7,9H2,1H3,(H,14,15)
InChIKeyGNSVHNOCQDZDNV-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.97
Rot. Bonds4

About 4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide

4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide (PubChem CID 146131397) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide
PubChem CID146131397
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide
SMILESCCC1(C(=O)NCc2nccs2)CCOCC1
InChIInChI=1S/C12H18N2O2S/c1-2-12(3-6-16-7-4-12)11(15)14-9-10-13-5-8-17-10/h5,8H,2-4,6-7,9H2,1H3,(H,14,15)
InChIKeyGNSVHNOCQDZDNV-UHFFFAOYSA-N
XLogP1.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide (CID 146131397) is 4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide is CCC1(C(=O)NCc2nccs2)CCOCC1.
What is the InChIKey of 4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is GNSVHNOCQDZDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-12(3-6-16-7-4-12)11(15)14-9-10-13-5-8-17-10/h5,8H,2-4,6-7,9H2,1H3,(H,14,15).
What are the key properties of 4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide?
4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 146131397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).