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

C16H15F2N3O2S — CID 90572612

IUPACN-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)NCc1ccc(F)cc1F)CS2
InChIInChI=1S/C16H15F2N3O2S/c1-9-5-20-16-21(15(9)23)7-11(8-24-16)14(22)19-6-10-2-3-12(17)4-13(10)18/h2-5,11H,6-8H2,1H3,(H,19,22)
InChIKeySKBYMFKZHXIBKR-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.87
Rot. Bonds3

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

N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572612) has the molecular formula C16H15F2N3O2S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572612
Molecular FormulaC16H15F2N3O2S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)NCc1ccc(F)cc1F)CS2
InChIInChI=1S/C16H15F2N3O2S/c1-9-5-20-16-21(15(9)23)7-11(8-24-16)14(22)19-6-10-2-3-12(17)4-13(10)18/h2-5,11H,6-8H2,1H3,(H,19,22)
InChIKeySKBYMFKZHXIBKR-UHFFFAOYSA-N
XLogP1.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2,5-difluorophenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97041302
N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572584
N-[(2-fluorophenyl)methyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573649
N-(3-chloro-2-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572524
7-methyl-6-oxo-N-quinolin-8-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802306
N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572346
3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161523
N-[(2-chlorophenyl)methyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573431
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
N-[(2,4-difluorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 44591915
(3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 97041295

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572612) is N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cnc2n(c1=O)CC(C(=O)NCc1ccc(F)cc1F)CS2.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is SKBYMFKZHXIBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2S/c1-9-5-20-16-21(15(9)23)7-11(8-24-16)14(22)19-6-10-2-3-12(17)4-13(10)18/h2-5,11H,6-8H2,1H3,(H,19,22).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).