(3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C18H20FN3O3S — CID 86715784

IUPAC(3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2cc(Oc3ccccn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C18H20FN3O3S/c1-17(2)16(20)22-18(3,11-26(17,23)24)13-10-12(7-8-14(13)19)25-15-6-4-5-9-21-15/h4-10H,11H2,1-3H3,(H2,20,22)/t18-/m0/s1
InChIKeyCBOBIRZCTYTCGE-SFHVURJKSA-N
MW377.44 g/mol
LogP2.79
Rot. Bonds3

About (3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

(3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 86715784) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is (3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID86715784
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name(3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2cc(Oc3ccccn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C18H20FN3O3S/c1-17(2)16(20)22-18(3,11-26(17,23)24)13-10-12(7-8-14(13)19)25-15-6-4-5-9-21-15/h4-10H,11H2,1-3H3,(H2,20,22)/t18-/m0/s1
InChIKeyCBOBIRZCTYTCGE-SFHVURJKSA-N
XLogP2.79
TPSA94.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of (3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 86715784) is (3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is CC1(C)C(N)=N[C@](C)(c2cc(Oc3ccccn3)ccc2F)CS1(=O)=O.
What is the InChIKey of (3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is CBOBIRZCTYTCGE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-17(2)16(20)22-18(3,11-26(17,23)24)13-10-12(7-8-14(13)19)25-15-6-4-5-9-21-15/h4-10H,11H2,1-3H3,(H2,20,22)/t18-/m0/s1.
What are the key properties of (3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
(3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 377.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-fluoro-5-pyridin-2-yloxyphenyl)-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 86715784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).