2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide

C15H17N3O3S — CID 30757803

IUPAC2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide
SMILESCCN(C(C)=O)c1nc(COc2ccccc2C(N)=O)cs1
InChIInChI=1S/C15H17N3O3S/c1-3-18(10(2)19)15-17-11(9-22-15)8-21-13-7-5-4-6-12(13)14(16)20/h4-7,9H,3,8H2,1-2H3,(H2,16,20)
InChIKeyJYBKJBPBRRIRPP-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.19
Rot. Bonds6

About 2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide

2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide (PubChem CID 30757803) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide
PubChem CID30757803
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide
SMILESCCN(C(C)=O)c1nc(COc2ccccc2C(N)=O)cs1
InChIInChI=1S/C15H17N3O3S/c1-3-18(10(2)19)15-17-11(9-22-15)8-21-13-7-5-4-6-12(13)14(16)20/h4-7,9H,3,8H2,1-2H3,(H2,16,20)
InChIKeyJYBKJBPBRRIRPP-UHFFFAOYSA-N
XLogP2.19
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide?
The IUPAC name of 2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide (CID 30757803) is 2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide.
What is the SMILES notation for 2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide?
The canonical SMILES for 2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide is CCN(C(C)=O)c1nc(COc2ccccc2C(N)=O)cs1.
What is the InChIKey of 2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide?
The InChIKey is JYBKJBPBRRIRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-18(10(2)19)15-17-11(9-22-15)8-21-13-7-5-4-6-12(13)14(16)20/h4-7,9H,3,8H2,1-2H3,(H2,16,20).
What are the key properties of 2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide?
2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide has a molecular weight of 319.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide is sourced from PubChem (CID 30757803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).