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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 63126930
3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 63134919
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587
2-[[[4-(aminomethyl)oxane-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 115439687
N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide
CID 130634316
6-hydroxy-2,5,7,8-tetramethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
CID 138027758
4-propyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 63126929
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
4-(aminomethyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxane-4-carboxamide
CID 120942222
4-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]oxane-4-carboxamide
CID 115439740

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).