(3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C19H23N5O3S — CID 122647724

IUPAC(3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCc1nc(C)c(-n2cc3cc([C@]4(C)CS(=O)(=O)C(C)(C)C(N)=N4)ccc3n2)o1
InChIInChI=1S/C19H23N5O3S/c1-11-16(27-12(2)21-11)24-9-13-8-14(6-7-15(13)23-24)19(5)10-28(25,26)18(3,4)17(20)22-19/h6-9H,10H2,1-5H3,(H2,20,22)/t19-/m0/s1
InChIKeyONYARWWZRBUQFJ-IBGZPJMESA-N
MW401.49 g/mol
LogP2.41
Rot. Bonds2

About (3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

(3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 122647724) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is (3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID122647724
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name(3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCc1nc(C)c(-n2cc3cc([C@]4(C)CS(=O)(=O)C(C)(C)C(N)=N4)ccc3n2)o1
InChIInChI=1S/C19H23N5O3S/c1-11-16(27-12(2)21-11)24-9-13-8-14(6-7-15(13)23-24)19(5)10-28(25,26)18(3,4)17(20)22-19/h6-9H,10H2,1-5H3,(H2,20,22)/t19-/m0/s1
InChIKeyONYARWWZRBUQFJ-IBGZPJMESA-N
XLogP2.41
TPSA116.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of (3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 122647724) is (3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is Cc1nc(C)c(-n2cc3cc([C@]4(C)CS(=O)(=O)C(C)(C)C(N)=N4)ccc3n2)o1.
What is the InChIKey of (3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is ONYARWWZRBUQFJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-11-16(27-12(2)21-11)24-9-13-8-14(6-7-15(13)23-24)19(5)10-28(25,26)18(3,4)17(20)22-19/h6-9H,10H2,1-5H3,(H2,20,22)/t19-/m0/s1.
What are the key properties of (3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
(3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 401.49 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)indazol-5-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 122647724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).