3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide

C17H16N4O2S2 — CID 126697071

IUPAC3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCN(c3nc4ccsc4c(=O)s3)CC2)c1
InChIInChI=1S/C17H16N4O2S2/c18-15(22)11-2-1-3-12(10-11)20-5-7-21(8-6-20)17-19-13-4-9-24-14(13)16(23)25-17/h1-4,9-10H,5-8H2,(H2,18,22)
InChIKeyVCXWHKJHDGYZQT-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.14
Rot. Bonds3

About 3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide

3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide (PubChem CID 126697071) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide
PubChem CID126697071
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCN(c3nc4ccsc4c(=O)s3)CC2)c1
InChIInChI=1S/C17H16N4O2S2/c18-15(22)11-2-1-3-12(10-11)20-5-7-21(8-6-20)17-19-13-4-9-24-14(13)16(23)25-17/h1-4,9-10H,5-8H2,(H2,18,22)
InChIKeyVCXWHKJHDGYZQT-UHFFFAOYSA-N
XLogP2.14
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 2134842
3-(2,5-dihydropyrrol-1-yl)benzamide
CID 90286995
2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 68654949
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
1-[3-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 41116489
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155558563
1-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl]ethanone
CID 141421140
3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide
CID 11269806
[4-(3-chlorophenyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 20951988
3-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)benzamide
CID 107809207
2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-12-carboxamide
CID 2813354
3-(4-piperidin-1-ylphenyl)benzamide
CID 68760605

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide?
The IUPAC name of 3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide (CID 126697071) is 3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide.
What is the SMILES notation for 3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide?
The canonical SMILES for 3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide is NC(=O)c1cccc(N2CCN(c3nc4ccsc4c(=O)s3)CC2)c1.
What is the InChIKey of 3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide?
The InChIKey is VCXWHKJHDGYZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c18-15(22)11-2-1-3-12(10-11)20-5-7-21(8-6-20)17-19-13-4-9-24-14(13)16(23)25-17/h1-4,9-10H,5-8H2,(H2,18,22).
What are the key properties of 3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide?
3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide has a molecular weight of 372.48 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)piperazin-1-yl]benzamide is sourced from PubChem (CID 126697071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).