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

C14H21N3O3S — CID 56798712

IUPAC4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
SMILESCCc1nc(CC(=O)NCC2(C(N)=O)CCOCC2)cs1
InChIInChI=1S/C14H21N3O3S/c1-2-12-17-10(8-21-12)7-11(18)16-9-14(13(15)19)3-5-20-6-4-14/h8H,2-7,9H2,1H3,(H2,15,19)(H,16,18)
InChIKeyIMDKCYCFHKGJNH-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.65
Rot. Bonds6

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

4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide (PubChem CID 56798712) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
PubChem CID56798712
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
SMILESCCc1nc(CC(=O)NCC2(C(N)=O)CCOCC2)cs1
InChIInChI=1S/C14H21N3O3S/c1-2-12-17-10(8-21-12)7-11(18)16-9-14(13(15)19)3-5-20-6-4-14/h8H,2-7,9H2,1H3,(H2,15,19)(H,16,18)
InChIKeyIMDKCYCFHKGJNH-UHFFFAOYSA-N
XLogP0.65
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]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

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide (CID 56798712) is 4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide is CCc1nc(CC(=O)NCC2(C(N)=O)CCOCC2)cs1.
What is the InChIKey of 4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide?
The InChIKey is IMDKCYCFHKGJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-12-17-10(8-21-12)7-11(18)16-9-14(13(15)19)3-5-20-6-4-14/h8H,2-7,9H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of 4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide?
4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 56798712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).