1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine

C19H23N3S — CID 90320836

IUPAC1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine
SMILESCCc1cc(C)cc2c1Nc1ccc(N3CCNCC3)cc1S2
InChIInChI=1S/C19H23N3S/c1-3-14-10-13(2)11-18-19(14)21-16-5-4-15(12-17(16)23-18)22-8-6-20-7-9-22/h4-5,10-12,20-21H,3,6-9H2,1-2H3
InChIKeyCOWYIQNLXUNTRU-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.18
Rot. Bonds2

About 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine

1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine (PubChem CID 90320836) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine.

Molecular Properties

Compound Name1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine
PubChem CID90320836
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine
SMILESCCc1cc(C)cc2c1Nc1ccc(N3CCNCC3)cc1S2
InChIInChI=1S/C19H23N3S/c1-3-14-10-13(2)11-18-19(14)21-16-5-4-15(12-17(16)23-18)22-8-6-20-7-9-22/h4-5,10-12,20-21H,3,6-9H2,1-2H3
InChIKeyCOWYIQNLXUNTRU-UHFFFAOYSA-N
XLogP4.18
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine?
The IUPAC name of 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine (CID 90320836) is 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine.
What is the SMILES notation for 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine?
The canonical SMILES for 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine is CCc1cc(C)cc2c1Nc1ccc(N3CCNCC3)cc1S2.
What is the InChIKey of 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine?
The InChIKey is COWYIQNLXUNTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-3-14-10-13(2)11-18-19(14)21-16-5-4-15(12-17(16)23-18)22-8-6-20-7-9-22/h4-5,10-12,20-21H,3,6-9H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine?
1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine has a molecular weight of 325.48 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine is sourced from PubChem (CID 90320836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).