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

C16H14ClN3OS2 — CID 6621291

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
SMILESO=c1sc(N2CCN(c3ccc(Cl)cc3)CC2)nc2ccsc12
InChIInChI=1S/C16H14ClN3OS2/c17-11-1-3-12(4-2-11)19-6-8-20(9-7-19)16-18-13-5-10-22-14(13)15(21)23-16/h1-5,10H,6-9H2
InChIKeyKUWGKNNFWOCJEM-UHFFFAOYSA-N
MW363.90 g/mol
LogP3.70
Rot. Bonds2

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

2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one (PubChem CID 6621291) has the molecular formula C16H14ClN3OS2 and a molecular weight of 363.90 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
PubChem CID6621291
Molecular FormulaC16H14ClN3OS2
Molecular Weight363.90 g/mol
Exact Mass363.03
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
SMILESO=c1sc(N2CCN(c3ccc(Cl)cc3)CC2)nc2ccsc12
InChIInChI=1S/C16H14ClN3OS2/c17-11-1-3-12(4-2-11)19-6-8-20(9-7-19)16-18-13-5-10-22-14(13)15(21)23-16/h1-5,10H,6-9H2
InChIKeyKUWGKNNFWOCJEM-UHFFFAOYSA-N
XLogP3.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.90
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Methyl(phenyl)amino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3243363
2-[4-(4-Fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
CID 9550688
3-Butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 3239592
2-[4-(2-Fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
CID 5308998
2-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propylsulfanyl}-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 10527490
3-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-thiophen-2-yl-propan-1-one
CID 10830587
3-[5-[4-(4-Chlorophenyl)piperazin-1-yl]pentyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 118728529
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155558563
2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone
CID 3239036
2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one
CID 118727812
3-(4-chlorophenyl)-2-methylthieno[3,2-d]pyrimidin-4(3H)-one
CID 3594455
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propylsulfanyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 10813388

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one (CID 6621291) is 2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one is O=c1sc(N2CCN(c3ccc(Cl)cc3)CC2)nc2ccsc12.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one?
The InChIKey is KUWGKNNFWOCJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS2/c17-11-1-3-12(4-2-11)19-6-8-20(9-7-19)16-18-13-5-10-22-14(13)15(21)23-16/h1-5,10H,6-9H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one?
2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one has a molecular weight of 363.90 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one is sourced from PubChem (CID 6621291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).