10-(2-thiophen-2-ylethyl)phenothiazine

C18H15NS2 — CID 134853153

IUPAC10-(2-thiophen-2-ylethyl)phenothiazine
SMILESc1csc(CCN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C18H15NS2/c1-3-9-17-15(7-1)19(12-11-14-6-5-13-20-14)16-8-2-4-10-18(16)21-17/h1-10,13H,11-12H2
InChIKeyAHEIEIHRGCUAIA-UHFFFAOYSA-N
MW309.46 g/mol
LogP5.59
Rot. Bonds3

About 10-(2-thiophen-2-ylethyl)phenothiazine

10-(2-thiophen-2-ylethyl)phenothiazine (PubChem CID 134853153) has the molecular formula C18H15NS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 10-(2-thiophen-2-ylethyl)phenothiazine.

Molecular Properties

Compound Name10-(2-thiophen-2-ylethyl)phenothiazine
PubChem CID134853153
Molecular FormulaC18H15NS2
Molecular Weight309.46 g/mol
Exact Mass309.06
IUPAC Name10-(2-thiophen-2-ylethyl)phenothiazine
SMILESc1csc(CCN2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C18H15NS2/c1-3-9-17-15(7-1)19(12-11-14-6-5-13-20-14)16-8-2-4-10-18(16)21-17/h1-10,13H,11-12H2
InChIKeyAHEIEIHRGCUAIA-UHFFFAOYSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.46
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

10-(2-phenylethyl)phenothiazine
CID 4594348
10-(4-bromobutyl)phenothiazine
CID 14549797
10-butylphenothiazine;hydrate;tetrahydroiodide
CID 173485866
1-(2-thiophen-2-ylethyl)-4H-quinoline
CID 174281222
diethyl(2-phenothiazin-10-ylethyl)azanium
CID 6918965
4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione
CID 63775885
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
CID 155804735
10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine
CID 3024375
3-(3-chlorophenothiazin-10-yl)propan-1-ol
CID 163458253

Frequently Asked Questions

What is the IUPAC name of 10-(2-thiophen-2-ylethyl)phenothiazine?
The IUPAC name of 10-(2-thiophen-2-ylethyl)phenothiazine (CID 134853153) is 10-(2-thiophen-2-ylethyl)phenothiazine.
What is the SMILES notation for 10-(2-thiophen-2-ylethyl)phenothiazine?
The canonical SMILES for 10-(2-thiophen-2-ylethyl)phenothiazine is c1csc(CCN2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of 10-(2-thiophen-2-ylethyl)phenothiazine?
The InChIKey is AHEIEIHRGCUAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS2/c1-3-9-17-15(7-1)19(12-11-14-6-5-13-20-14)16-8-2-4-10-18(16)21-17/h1-10,13H,11-12H2.
What are the key properties of 10-(2-thiophen-2-ylethyl)phenothiazine?
10-(2-thiophen-2-ylethyl)phenothiazine has a molecular weight of 309.46 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-thiophen-2-ylethyl)phenothiazine is sourced from PubChem (CID 134853153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).