2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone

C17H15N5OS2 — CID 1147156

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone
SMILESCCn1nnnc1SCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H15N5OS2/c1-2-21-17(18-19-20-21)24-11-16(23)22-12-7-3-5-9-14(12)25-15-10-6-4-8-13(15)22/h3-10H,2,11H2,1H3
InChIKeyRBOJKEAKIGFPDS-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.61
Rot. Bonds4

About 2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone

2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone (PubChem CID 1147156) has the molecular formula C17H15N5OS2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone
PubChem CID1147156
Molecular FormulaC17H15N5OS2
Molecular Weight369.48 g/mol
Exact Mass369.07
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone
SMILESCCn1nnnc1SCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H15N5OS2/c1-2-21-17(18-19-20-21)24-11-16(23)22-12-7-3-5-9-14(12)25-15-10-6-4-8-13(15)22/h3-10H,2,11H2,1H3
InChIKeyRBOJKEAKIGFPDS-UHFFFAOYSA-N
XLogP3.61
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.61
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
1-Phenothiazin-10-yl-2-(4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 736364
1-(2-Chloro-10-phenothiazinyl)-2-[(1-methyl-5-tetrazolyl)thio]ethanone
CID 1205193
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 1021305
10-((4H-1,2,4-Triazol-3-ylthio)acetyl)-10H-phenothiazine hydrochloride
CID 45054227
1-Phenothiazin-10-yl-2-(1-phenyltetrazol-5-yl)sulfanylbutan-1-one
CID 2919550
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)butan-1-one
CID 3614251
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 16294899
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 16295788
4-[3-(1H-tetrazol-1-yl)propyl]-2H-1,4-benzothiazin-3(4H)-one
CID 72856823

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone (CID 1147156) is 2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone is CCn1nnnc1SCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone?
The InChIKey is RBOJKEAKIGFPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS2/c1-2-21-17(18-19-20-21)24-11-16(23)22-12-7-3-5-9-14(12)25-15-10-6-4-8-13(15)22/h3-10H,2,11H2,1H3.
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone?
2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone has a molecular weight of 369.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 1147156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).