N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide

C14H10FN3OS2 — CID 2486876

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C14H10FN3OS2/c1-20-13-9(3-2-6-16-13)12(19)18-14-17-10-5-4-8(15)7-11(10)21-14/h2-7H,1H3,(H,17,18,19)
InChIKeyZVFBLGBDGQPBLB-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.80
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2486876) has the molecular formula C14H10FN3OS2 and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2486876
Molecular FormulaC14H10FN3OS2
Molecular Weight319.39 g/mol
Exact Mass319.02
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C14H10FN3OS2/c1-20-13-9(3-2-6-16-13)12(19)18-14-17-10-5-4-8(15)7-11(10)21-14/h2-7H,1H3,(H,17,18,19)
InChIKeyZVFBLGBDGQPBLB-UHFFFAOYSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.80
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-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide (CID 2486876) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is ZVFBLGBDGQPBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS2/c1-20-13-9(3-2-6-16-13)12(19)18-14-17-10-5-4-8(15)7-11(10)21-14/h2-7H,1H3,(H,17,18,19).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 3.80, 3 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-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2486876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).