N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine

C14H16F2N4O2S — CID 167766245

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine
SMILESO=S1(=O)CCN(CCNc2ncnc3c(F)c(F)ccc23)CC1
InChIInChI=1S/C14H16F2N4O2S/c15-11-2-1-10-13(12(11)16)18-9-19-14(10)17-3-4-20-5-7-23(21,22)8-6-20/h1-2,9H,3-8H2,(H,17,18,19)
InChIKeyOYNJFCYAWWJXPH-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.05
Rot. Bonds4

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine (PubChem CID 167766245) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine
PubChem CID167766245
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine
SMILESO=S1(=O)CCN(CCNc2ncnc3c(F)c(F)ccc23)CC1
InChIInChI=1S/C14H16F2N4O2S/c15-11-2-1-10-13(12(11)16)18-9-19-14(10)17-3-4-20-5-7-23(21,22)8-6-20/h1-2,9H,3-8H2,(H,17,18,19)
InChIKeyOYNJFCYAWWJXPH-UHFFFAOYSA-N
XLogP1.05
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine (CID 167766245) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine is O=S1(=O)CCN(CCNc2ncnc3c(F)c(F)ccc23)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine?
The InChIKey is OYNJFCYAWWJXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c15-11-2-1-10-13(12(11)16)18-9-19-14(10)17-3-4-20-5-7-23(21,22)8-6-20/h1-2,9H,3-8H2,(H,17,18,19).
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine has a molecular weight of 342.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7,8-difluoroquinazolin-4-amine is sourced from PubChem (CID 167766245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).