3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane

C9H14N2OS — CID 143162628

IUPAC3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane
SMILESCC.O=c1ccnc2n1CCCS2
InChIInChI=1S/C7H8N2OS.C2H6/c10-6-2-3-8-7-9(6)4-1-5-11-7;1-2/h2-3H,1,4-5H2;1-2H3
InChIKeyGAFLBKLAVRMFCU-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.77
Rot. Bonds

About 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane

3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane (PubChem CID 143162628) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane
PubChem CID143162628
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane
SMILESCC.O=c1ccnc2n1CCCS2
InChIInChI=1S/C7H8N2OS.C2H6/c10-6-2-3-8-7-9(6)4-1-5-11-7;1-2/h2-3H,1,4-5H2;1-2H3
InChIKeyGAFLBKLAVRMFCU-UHFFFAOYSA-N
XLogP1.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one
CID 135435893
8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 1717864
8-Methoxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 1870753
8-methyl-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 3900641
8-(diethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 23605709
2-(Ethylthio)-3-methyl-4-pyrimidone
CID 129660839
8-chloro-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 1899809
2-Methyl-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 259155
ST087081
CID 1827250
3,4-Dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 15092584
3-Ethyl-2-(ethylsulfanyl)pyrimidin-4(3H)-one
CID 12808415
2-(Butylsulfanyl)-6-oxo-3-(prop-2-en-1-yl)-3,6-dihydropyrimidin-4-olate
CID 3819919

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane?
The IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane (CID 143162628) is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane.
What is the SMILES notation for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane?
The canonical SMILES for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane is CC.O=c1ccnc2n1CCCS2.
What is the InChIKey of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane?
The InChIKey is GAFLBKLAVRMFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS.C2H6/c10-6-2-3-8-7-9(6)4-1-5-11-7;1-2/h2-3H,1,4-5H2;1-2H3.
What are the key properties of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane?
3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane has a molecular weight of 198.29 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one;ethane is sourced from PubChem (CID 143162628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).