7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine

C16H14F2N4OS — CID 66861535

IUPAC7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
SMILESNC1=NC2(c3cc(-c4cncnc4)c(F)cc3F)COCC2CS1
InChIInChI=1S/C16H14F2N4OS/c17-13-2-14(18)12(1-11(13)9-3-20-8-21-4-9)16-7-23-5-10(16)6-24-15(19)22-16/h1-4,8,10H,5-7H2,(H2,19,22)
InChIKeyQHBAUPOOYRGPCQ-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.33
Rot. Bonds2

About 7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine

7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine (PubChem CID 66861535) has the molecular formula C16H14F2N4OS and a molecular weight of 348.38 g/mol. Its IUPAC name is 7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
PubChem CID66861535
Molecular FormulaC16H14F2N4OS
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
SMILESNC1=NC2(c3cc(-c4cncnc4)c(F)cc3F)COCC2CS1
InChIInChI=1S/C16H14F2N4OS/c17-13-2-14(18)12(1-11(13)9-3-20-8-21-4-9)16-7-23-5-10(16)6-24-15(19)22-16/h1-4,8,10H,5-7H2,(H2,19,22)
InChIKeyQHBAUPOOYRGPCQ-UHFFFAOYSA-N
XLogP2.33
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4aS,7aS)-7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
CID 58102213
(4aS,7aS)-7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
CID 50903138
(4aR,8aS)-8a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine
CID 50903050
(4aR,8aR)-8a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4a,5,6,7-tetrahydro-4H-pyrano[2,3-d][1,3]thiazin-2-amine
CID 71079691
7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
CID 66860868
(4R)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 98008511
8a-(5-bromo-2,4-difluorophenyl)-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine
CID 154508638
(4aR,7aR)-7a-(5-bromo-2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine;(4aS,7aS)-7a-(5-bromo-2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazine
CID 160576461
7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-2-amine
CID 53251821
7a-(3-bromo-4-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
CID 122658643
(4aS,8aR)-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71277796
N-[3-(2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 57475760

Frequently Asked Questions

What is the IUPAC name of 7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine?
The IUPAC name of 7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine (CID 66861535) is 7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine.
What is the SMILES notation for 7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine?
The canonical SMILES for 7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine is NC1=NC2(c3cc(-c4cncnc4)c(F)cc3F)COCC2CS1.
What is the InChIKey of 7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine?
The InChIKey is QHBAUPOOYRGPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4OS/c17-13-2-14(18)12(1-11(13)9-3-20-8-21-4-9)16-7-23-5-10(16)6-24-15(19)22-16/h1-4,8,10H,5-7H2,(H2,19,22).
What are the key properties of 7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine?
7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine has a molecular weight of 348.38 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 66861535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).