N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

C20H15FN4OS — CID 58447641

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3nc4ccc(F)cc4s3)cn2)ccn1
InChIInChI=1S/C20H15FN4OS/c1-12-8-14(6-7-22-12)16-4-2-13(11-23-16)9-19(26)25-20-24-17-5-3-15(21)10-18(17)27-20/h2-8,10-11H,9H2,1H3,(H,24,25,26)
InChIKeyKZFVASQPJNAGGU-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.38
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 58447641) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID58447641
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3nc4ccc(F)cc4s3)cn2)ccn1
InChIInChI=1S/C20H15FN4OS/c1-12-8-14(6-7-22-12)16-4-2-13(11-23-16)9-19(26)25-20-24-17-5-3-15(21)10-18(17)27-20/h2-8,10-11H,9H2,1H3,(H,24,25,26)
InChIKeyKZFVASQPJNAGGU-UHFFFAOYSA-N
XLogP4.38
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 58447641) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3nc4ccc(F)cc4s3)cn2)ccn1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is KZFVASQPJNAGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-12-8-14(6-7-22-12)16-4-2-13(11-23-16)9-19(26)25-20-24-17-5-3-15(21)10-18(17)27-20/h2-8,10-11H,9H2,1H3,(H,24,25,26).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 58447641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).