2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide

C17H13F2N3O3S — CID 24597030

IUPAC2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccc2nc(NC(=O)CNC(=O)c3ccc(F)cc3F)sc2c1
InChIInChI=1S/C17H13F2N3O3S/c1-25-10-3-5-13-14(7-10)26-17(21-13)22-15(23)8-20-16(24)11-4-2-9(18)6-12(11)19/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyBDDYMOLYALWMFM-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.95
Rot. Bonds5

About 2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 24597030) has the molecular formula C17H13F2N3O3S and a molecular weight of 377.37 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID24597030
Molecular FormulaC17H13F2N3O3S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC Name2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccc2nc(NC(=O)CNC(=O)c3ccc(F)cc3F)sc2c1
InChIInChI=1S/C17H13F2N3O3S/c1-25-10-3-5-13-14(7-10)26-17(21-13)22-15(23)8-20-16(24)11-4-2-9(18)6-12(11)19/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyBDDYMOLYALWMFM-UHFFFAOYSA-N
XLogP2.95
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 17479319
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-[3-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 42185868
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 71600843
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2085098
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 31287787
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 24597030) is 2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide is COc1ccc2nc(NC(=O)CNC(=O)c3ccc(F)cc3F)sc2c1.
What is the InChIKey of 2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is BDDYMOLYALWMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S/c1-25-10-3-5-13-14(7-10)26-17(21-13)22-15(23)8-20-16(24)11-4-2-9(18)6-12(11)19/h2-7H,8H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 377.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24597030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).