N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide

C14H12ClN3O2S — CID 1282155

IUPACN-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=CC(=O)N2CCCN=C2S1
InChIInChI=1S/C14H12ClN3O2S/c15-9-3-1-4-10(7-9)17-13(20)11-8-12(19)18-6-2-5-16-14(18)21-11/h1,3-4,7-8H,2,5-6H2,(H,17,20)
InChIKeyPVMAXTBXXHEIGS-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.50
Rot. Bonds2

About N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide

N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide (PubChem CID 1282155) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide
PubChem CID1282155
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC NameN-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=CC(=O)N2CCCN=C2S1
InChIInChI=1S/C14H12ClN3O2S/c15-9-3-1-4-10(7-9)17-13(20)11-8-12(19)18-6-2-5-16-14(18)21-11/h1,3-4,7-8H,2,5-6H2,(H,17,20)
InChIKeyPVMAXTBXXHEIGS-UHFFFAOYSA-N
XLogP2.50
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide (CID 1282155) is N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide is O=C(Nc1cccc(Cl)c1)C1=CC(=O)N2CCCN=C2S1.
What is the InChIKey of N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
The InChIKey is PVMAXTBXXHEIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-9-3-1-4-10(7-9)17-13(20)11-8-12(19)18-6-2-5-16-14(18)21-11/h1,3-4,7-8H,2,5-6H2,(H,17,20).
What are the key properties of N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide has a molecular weight of 321.79 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-oxo-7,8-dihydro-6H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide is sourced from PubChem (CID 1282155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).