2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone

C21H15N5O2S2 — CID 3472887

IUPAC2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H15N5O2S2/c27-15-11-9-14(10-12-15)26-21(22-23-24-26)29-13-20(28)25-16-5-1-3-7-18(16)30-19-8-4-2-6-17(19)25/h1-12,27H,13H2
InChIKeyHIVOMLAFMRNJPY-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.29
Rot. Bonds4

About 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone (PubChem CID 3472887) has the molecular formula C21H15N5O2S2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone
PubChem CID3472887
Molecular FormulaC21H15N5O2S2
Molecular Weight433.52 g/mol
Exact Mass433.07
IUPAC Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H15N5O2S2/c27-15-11-9-14(10-12-15)26-21(22-23-24-26)29-13-20(28)25-16-5-1-3-7-18(16)30-19-8-4-2-6-17(19)25/h1-12,27H,13H2
InChIKeyHIVOMLAFMRNJPY-UHFFFAOYSA-N
XLogP4.29
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 7474216
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 52558632
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 2404896
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 7474218
N-(2,6-dichlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814771
1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 9407673
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
1-(4-bromophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 4814776
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
1-carbazol-9-yl-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
CID 3550030
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 42903484
3-methyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one
CID 2624307

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone (CID 3472887) is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone is O=C(CSc1nnnn1-c1ccc(O)cc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone?
The InChIKey is HIVOMLAFMRNJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2S2/c27-15-11-9-14(10-12-15)26-21(22-23-24-26)29-13-20(28)25-16-5-1-3-7-18(16)30-19-8-4-2-6-17(19)25/h1-12,27H,13H2.
What are the key properties of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone?
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone has a molecular weight of 433.52 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 3472887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).