2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one

C16H14FN3OS2 — CID 5308998

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
SMILESO=c1sc(N2CCN(c3ccccc3F)CC2)nc2ccsc12
InChIInChI=1S/C16H14FN3OS2/c17-11-3-1-2-4-13(11)19-6-8-20(9-7-19)16-18-12-5-10-22-14(12)15(21)23-16/h1-5,10H,6-9H2
InChIKeyGVUCYWVVMBUGNJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.18
Rot. Bonds2

About 2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one

2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one (PubChem CID 5308998) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
PubChem CID5308998
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
SMILESO=c1sc(N2CCN(c3ccccc3F)CC2)nc2ccsc12
InChIInChI=1S/C16H14FN3OS2/c17-11-3-1-2-4-13(11)19-6-8-20(9-7-19)16-18-12-5-10-22-14(12)15(21)23-16/h1-5,10H,6-9H2
InChIKeyGVUCYWVVMBUGNJ-UHFFFAOYSA-N
XLogP3.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155516399
2-(phenylamino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3239546
2-(Methyl(phenyl)amino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3243363
2-(N-ethyl-3-methylanilino)thieno[3,2-d][1,3]thiazin-4-one
CID 9551123
2-[4-(4-Fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
CID 9550688
(5E)-2-(4-phenylpiperazin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one
CID 1829480
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2994137
3-Butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 3239592
2-(allylsulfanyl)-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 3835199
2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone
CID 3239036
N-benzyl-2-[3-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-methylacetamide
CID 4124962
7-chloro-2-({[3-(4-fluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]thio}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4146313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one (CID 5308998) is 2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one is O=c1sc(N2CCN(c3ccccc3F)CC2)nc2ccsc12.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one?
The InChIKey is GVUCYWVVMBUGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c17-11-3-1-2-4-13(11)19-6-8-20(9-7-19)16-18-12-5-10-22-14(12)15(21)23-16/h1-5,10H,6-9H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one?
2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one has a molecular weight of 347.44 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one is sourced from PubChem (CID 5308998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).