(3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine

C19H20N4O3S2 — CID 66562045

IUPAC(3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2cc(-c3cncc(-c4ncco4)c3)cs2)CS1(=O)=O
InChIInChI=1S/C19H20N4O3S2/c1-18(2)17(20)23-19(3,11-28(18,24)25)15-7-14(10-27-15)12-6-13(9-21-8-12)16-22-4-5-26-16/h4-10H,11H2,1-3H3,(H2,20,23)/t19-/m0/s1
InChIKeyLYZMIZDPAYYUDX-IBGZPJMESA-N
MW416.53 g/mol
LogP3.24
Rot. Bonds3

About (3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine

(3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 66562045) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID66562045
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name(3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2cc(-c3cncc(-c4ncco4)c3)cs2)CS1(=O)=O
InChIInChI=1S/C19H20N4O3S2/c1-18(2)17(20)23-19(3,11-28(18,24)25)15-7-14(10-27-15)12-6-13(9-21-8-12)16-22-4-5-26-16/h4-10H,11H2,1-3H3,(H2,20,23)/t19-/m0/s1
InChIKeyLYZMIZDPAYYUDX-IBGZPJMESA-N
XLogP3.24
TPSA111.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of (3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 66562045) is (3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine is CC1(C)C(N)=N[C@](C)(c2cc(-c3cncc(-c4ncco4)c3)cs2)CS1(=O)=O.
What is the InChIKey of (3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is LYZMIZDPAYYUDX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-18(2)17(20)23-19(3,11-28(18,24)25)15-7-14(10-27-15)12-6-13(9-21-8-12)16-22-4-5-26-16/h4-10H,11H2,1-3H3,(H2,20,23)/t19-/m0/s1.
What are the key properties of (3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine?
(3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 416.53 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,6,6-trimethyl-3-[4-[5-(1,3-oxazol-2-yl)-3-pyridinyl]thiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 66562045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).