1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone

C21H15N5OS2 — CID 1119537

IUPAC1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H15N5OS2/c27-20(14-28-21-22-23-24-26(21)15-8-2-1-3-9-15)25-16-10-4-6-12-18(16)29-19-13-7-5-11-17(19)25/h1-13H,14H2
InChIKeyTXHKFXJFGPPZNM-UHFFFAOYSA-N
MW417.52 g/mol
LogP4.58
Rot. Bonds4

About 1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone

1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone (PubChem CID 1119537) has the molecular formula C21H15N5OS2 and a molecular weight of 417.52 g/mol. Its IUPAC name is 1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone
PubChem CID1119537
Molecular FormulaC21H15N5OS2
Molecular Weight417.52 g/mol
Exact Mass417.07
IUPAC Name1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H15N5OS2/c27-20(14-28-21-22-23-24-26(21)15-8-2-1-3-9-15)25-16-10-4-6-12-18(16)29-19-13-7-5-11-17(19)25/h1-13H,14H2
InChIKeyTXHKFXJFGPPZNM-UHFFFAOYSA-N
XLogP4.58
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-Cyclohexyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone
CID 1130105
N-[2-(Methylsulfanyl)phenyl]-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
CID 1006914
2-(1-Methyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone
CID 1847573
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 1021305
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-1-phenothiazin-10-yl-ethanone
CID 1147156
1-(2-Chlorophenothiazin-10-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 1044380
N,N-diphenyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2917478
1-Phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylbutan-1-one
CID 2919550
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]thio}-N-[2-(methylthio)phenyl]acetamide
CID 2211946
[4-[[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]amino]phenyl] thiocyanate
CID 1044213
1-(2-chloro-10H-phenothiazin-10-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone
CID 1202547
2-[(4-Methyl-1,2,4-triazol-3-YL)sulfanyl]-1-(phenothiazin-10-YL)ethanone
CID 1108486

Frequently Asked Questions

What is the IUPAC name of 1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CID 1119537) is 1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone is O=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The InChIKey is TXHKFXJFGPPZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS2/c27-20(14-28-21-22-23-24-26(21)15-8-2-1-3-9-15)25-16-10-4-6-12-18(16)29-19-13-7-5-11-17(19)25/h1-13H,14H2.
What are the key properties of 1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone has a molecular weight of 417.52 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 1119537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).