2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

C20H12F3N3OS — CID 43966883

IUPAC2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(F)cc1F)N(Cc1cccnc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H12F3N3OS/c21-13-3-5-15(16(23)8-13)19(27)26(11-12-2-1-7-24-10-12)20-25-17-6-4-14(22)9-18(17)28-20/h1-10H,11H2
InChIKeyQESDFNKLMBKVRX-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.96
Rot. Bonds4

About 2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 43966883) has the molecular formula C20H12F3N3OS and a molecular weight of 399.40 g/mol. Its IUPAC name is 2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID43966883
Molecular FormulaC20H12F3N3OS
Molecular Weight399.40 g/mol
Exact Mass399.07
IUPAC Name2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(F)cc1F)N(Cc1cccnc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H12F3N3OS/c21-13-3-5-15(16(23)8-13)19(27)26(11-12-2-1-7-24-10-12)20-25-17-6-4-14(22)9-18(17)28-20/h1-10H,11H2
InChIKeyQESDFNKLMBKVRX-UHFFFAOYSA-N
XLogP4.96
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43966878
methyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)carbamoyl]benzoate
CID 43967364
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 43966998
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide
CID 40983108
3-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983052
2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 16802775
2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986383
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide
CID 43967680
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-N-(pyridin-3-ylmethyl)benzo[f]chromene-2-carboxamide
CID 40983084
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 40983101
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 40508154
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966768

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 43966883) is 2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide is O=C(c1ccc(F)cc1F)N(Cc1cccnc1)c1nc2ccc(F)cc2s1.
What is the InChIKey of 2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is QESDFNKLMBKVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3OS/c21-13-3-5-15(16(23)8-13)19(27)26(11-12-2-1-7-24-10-12)20-25-17-6-4-14(22)9-18(17)28-20/h1-10H,11H2.
What are the key properties of 2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?
2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 399.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 43966883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).