N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide

C18H16FN3O3S — CID 10237267

IUPACN-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide
SMILESCOc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C18H16FN3O3S/c1-10(23)22(2)13-8-9-14(25-3)15-16(13)26-18(20-15)21-17(24)11-4-6-12(19)7-5-11/h4-9H,1-3H3,(H,20,21,24)
InChIKeyNOVSCPBZVDJFFX-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.68
Rot. Bonds4

About N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide

N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide (PubChem CID 10237267) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide
PubChem CID10237267
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide
SMILESCOc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C18H16FN3O3S/c1-10(23)22(2)13-8-9-14(25-3)15-16(13)26-18(20-15)21-17(24)11-4-6-12(19)7-5-11/h4-9H,1-3H3,(H,20,21,24)
InChIKeyNOVSCPBZVDJFFX-UHFFFAOYSA-N
XLogP3.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-(diethylamino)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 132941757
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548582
3-(6-Methoxy-1,3-benzothiazol-2-YL)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 20924372
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1,4-dimethylcyclohexane-1-carboxamide
CID 137636304
2-(2,6-difluorophenoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 137644817
2-(3-fluorophenoxy)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 137654317
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 739503
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 770971

Frequently Asked Questions

What is the IUPAC name of N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide (CID 10237267) is N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide is COc1ccc(N(C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide?
The InChIKey is NOVSCPBZVDJFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-10(23)22(2)13-8-9-14(25-3)15-16(13)26-18(20-15)21-17(24)11-4-6-12(19)7-5-11/h4-9H,1-3H3,(H,20,21,24).
What are the key properties of N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide?
N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide has a molecular weight of 373.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[acetyl(methyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 10237267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).