N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide

C13H10ClN3O2S — CID 929746

IUPACN-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=CC(=O)N2CCN=C2S1
InChIInChI=1S/C13H10ClN3O2S/c14-8-2-1-3-9(6-8)16-12(19)10-7-11(18)17-5-4-15-13(17)20-10/h1-3,6-7H,4-5H2,(H,16,19)
InChIKeyKAGXXZDLVYMHSM-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.11
Rot. Bonds2

About N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide

N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide (PubChem CID 929746) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide
PubChem CID929746
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC NameN-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=CC(=O)N2CCN=C2S1
InChIInChI=1S/C13H10ClN3O2S/c14-8-2-1-3-9(6-8)16-12(19)10-7-11(18)17-5-4-15-13(17)20-10/h1-3,6-7H,4-5H2,(H,16,19)
InChIKeyKAGXXZDLVYMHSM-UHFFFAOYSA-N
XLogP2.11
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide (CID 929746) is N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide is O=C(Nc1cccc(Cl)c1)C1=CC(=O)N2CCN=C2S1.
What is the InChIKey of N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide?
The InChIKey is KAGXXZDLVYMHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-8-2-1-3-9(6-8)16-12(19)10-7-11(18)17-5-4-15-13(17)20-10/h1-3,6-7H,4-5H2,(H,16,19).
What are the key properties of N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide?
N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-7-carboxamide is sourced from PubChem (CID 929746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).