10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine

C17H16N2S — CID 13071502

IUPAC10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine
SMILESCC1CCC(N2c3ccccc3Sc3ccccc32)=N1
InChIInChI=1S/C17H16N2S/c1-12-10-11-17(18-12)19-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)19/h2-9,12H,10-11H2,1H3
InChIKeySAYOCSIITUQWCI-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.87
Rot. Bonds

About 10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine

10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine (PubChem CID 13071502) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine.

Molecular Properties

Compound Name10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine
PubChem CID13071502
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine
SMILESCC1CCC(N2c3ccccc3Sc3ccccc32)=N1
InChIInChI=1S/C17H16N2S/c1-12-10-11-17(18-12)19-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)19/h2-9,12H,10-11H2,1H3
InChIKeySAYOCSIITUQWCI-UHFFFAOYSA-N
XLogP4.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenoxazine
CID 22754310
10-[7,11-di(phenothiazin-10-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]phenothiazine
CID 67476601
10-(2-methylcyclopropyl)phenothiazine
CID 59112633
10-[2-(benzotriazol-2-yl)phenyl]phenothiazine
CID 118429483
(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone
CID 714968
10-(7-phenothiazin-10-yl-2-phenylbenzotriazol-4-yl)phenothiazine
CID 118429659
10-(10-phenothiazin-10-ylperylen-3-yl)phenothiazine
CID 20710028
10-(1,3,4,5,6,8-hexafluoro-7-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 177493168
10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine
CID 102590349
N,N-dimethyl-4-phenothiazin-10-ylaniline
CID 149200025
10-piperidin-4-ylphenothiazine
CID 58293865
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755

Frequently Asked Questions

What is the IUPAC name of 10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine?
The IUPAC name of 10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine (CID 13071502) is 10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine.
What is the SMILES notation for 10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine?
The canonical SMILES for 10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine is CC1CCC(N2c3ccccc3Sc3ccccc32)=N1.
What is the InChIKey of 10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine?
The InChIKey is SAYOCSIITUQWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-10-11-17(18-12)19-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)19/h2-9,12H,10-11H2,1H3.
What are the key properties of 10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine?
10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine has a molecular weight of 280.40 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenothiazine is sourced from PubChem (CID 13071502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).