3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

C21H17F2N3O5S — CID 22110326

IUPAC3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(OC(F)F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C21H17F2N3O5S/c22-20(23)31-14-3-1-2-13(8-14)19(28)24-10-18(27)26-21-25-15(11-32-21)12-4-5-16-17(9-12)30-7-6-29-16/h1-5,8-9,11,20H,6-7,10H2,(H,24,28)(H,25,26,27)
InChIKeySHVMTMRWITXSLH-UHFFFAOYSA-N
MW461.45 g/mol
LogP3.55
Rot. Bonds7

About 3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 22110326) has the molecular formula C21H17F2N3O5S and a molecular weight of 461.45 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID22110326
Molecular FormulaC21H17F2N3O5S
Molecular Weight461.45 g/mol
Exact Mass461.09
IUPAC Name3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(OC(F)F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C21H17F2N3O5S/c22-20(23)31-14-3-1-2-13(8-14)19(28)24-10-18(27)26-21-25-15(11-32-21)12-4-5-16-17(9-12)30-7-6-29-16/h1-5,8-9,11,20H,6-7,10H2,(H,24,28)(H,25,26,27)
InChIKeySHVMTMRWITXSLH-UHFFFAOYSA-N
XLogP3.55
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide 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

N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 17482470
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(3-fluorophenoxy)acetamide
CID 8800923
2-cyano-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 2356872
3-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162316
2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 5162606
N-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 112805403
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 55388449
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605284
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55522837
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 2127477
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4577932

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (CID 22110326) is 3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(OC(F)F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of 3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is SHVMTMRWITXSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O5S/c22-20(23)31-14-3-1-2-13(8-14)19(28)24-10-18(27)26-21-25-15(11-32-21)12-4-5-16-17(9-12)30-7-6-29-16/h1-5,8-9,11,20H,6-7,10H2,(H,24,28)(H,25,26,27).
What are the key properties of 3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 461.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 22110326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).