N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine

C18H13FN4S — CID 171807309

IUPACN-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine
SMILESFc1ccc(CNc2ncccc2-c2ccccn2)c2sncc12
InChIInChI=1S/C18H13FN4S/c19-15-7-6-12(17-14(15)11-23-24-17)10-22-18-13(4-3-9-21-18)16-5-1-2-8-20-16/h1-9,11H,10H2,(H,21,22)
InChIKeyBYLKIUFZVKFOAT-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.50
Rot. Bonds4

About N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine

N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine (PubChem CID 171807309) has the molecular formula C18H13FN4S and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine
PubChem CID171807309
Molecular FormulaC18H13FN4S
Molecular Weight336.40 g/mol
Exact Mass336.08
IUPAC NameN-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine
SMILESFc1ccc(CNc2ncccc2-c2ccccn2)c2sncc12
InChIInChI=1S/C18H13FN4S/c19-15-7-6-12(17-14(15)11-23-24-17)10-22-18-13(4-3-9-21-18)16-5-1-2-8-20-16/h1-9,11H,10H2,(H,21,22)
InChIKeyBYLKIUFZVKFOAT-UHFFFAOYSA-N
XLogP4.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine (CID 171807309) is N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine is Fc1ccc(CNc2ncccc2-c2ccccn2)c2sncc12.
What is the InChIKey of N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine?
The InChIKey is BYLKIUFZVKFOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4S/c19-15-7-6-12(17-14(15)11-23-24-17)10-22-18-13(4-3-9-21-18)16-5-1-2-8-20-16/h1-9,11H,10H2,(H,21,22).
What are the key properties of N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine?
N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine has a molecular weight of 336.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 171807309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).