N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C16H11F6N3O2S — CID 90573539

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C16H11F6N3O2S/c17-15(18,19)9-3-10(16(20,21)22)5-11(4-9)24-13(27)8-6-25-12(26)1-2-23-14(25)28-7-8/h1-5,8H,6-7H2,(H,24,27)
InChIKeyKUKMKSGAWKYFOT-UHFFFAOYSA-N
MW423.34 g/mol
LogP3.64
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573539) has the molecular formula C16H11F6N3O2S and a molecular weight of 423.34 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573539
Molecular FormulaC16H11F6N3O2S
Molecular Weight423.34 g/mol
Exact Mass423.05
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C16H11F6N3O2S/c17-15(18,19)9-3-10(16(20,21)22)5-11(4-9)24-13(27)8-6-25-12(26)1-2-23-14(25)28-7-8/h1-5,8H,6-7H2,(H,24,27)
InChIKeyKUKMKSGAWKYFOT-UHFFFAOYSA-N
XLogP3.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573648
6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573555
(3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105653
N-(3-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573405
6-oxo-N-(2-oxothiolan-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573621
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572532
6-oxo-N-(2-phenoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573599
6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573672
3-(3-hydroxyazetidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 90573677
N-[(2-fluorophenyl)methyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573649
8-tert-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572863
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573582

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573539) is N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CSc2nccc(=O)n2C1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is KUKMKSGAWKYFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3O2S/c17-15(18,19)9-3-10(16(20,21)22)5-11(4-9)24-13(27)8-6-25-12(26)1-2-23-14(25)28-7-8/h1-5,8H,6-7H2,(H,24,27).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 423.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).