N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine

C15H15FN2O2S — CID 79042891

IUPACN-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C15H15FN2O2S/c1-10-13(3-2-7-17-10)18-14-6-8-21(19,20)15-5-4-11(16)9-12(14)15/h2-5,7,9,14,18H,6,8H2,1H3
InChIKeyABUOJBJJNJVEOZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.86
Rot. Bonds2

About N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine

N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine (PubChem CID 79042891) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine
PubChem CID79042891
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine
SMILESCc1ncccc1NC1CCS(=O)(=O)c2ccc(F)cc21
InChIInChI=1S/C15H15FN2O2S/c1-10-13(3-2-7-17-10)18-14-6-8-21(19,20)15-5-4-11(16)9-12(14)15/h2-5,7,9,14,18H,6,8H2,1H3
InChIKeyABUOJBJJNJVEOZ-UHFFFAOYSA-N
XLogP2.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine?
The IUPAC name of N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine (CID 79042891) is N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine.
What is the SMILES notation for N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine?
The canonical SMILES for N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine is Cc1ncccc1NC1CCS(=O)(=O)c2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine?
The InChIKey is ABUOJBJJNJVEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-10-13(3-2-7-17-10)18-14-6-8-21(19,20)15-5-4-11(16)9-12(14)15/h2-5,7,9,14,18H,6,8H2,1H3.
What are the key properties of N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine?
N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine has a molecular weight of 306.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyridin-3-amine is sourced from PubChem (CID 79042891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).