1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine

C17H17NOS — CID 118881013

IUPAC1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine
SMILESC=c1c(C)c(OC)c2c(c1C)Sc1cc(C)ccc1N=2
InChIInChI=1S/C17H17NOS/c1-9-6-7-13-14(8-9)20-17-12(4)10(2)11(3)16(19-5)15(17)18-13/h6-8H,2H2,1,3-5H3
InChIKeyBPMNTPUHJUIJNB-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.45
Rot. Bonds1

About 1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine

1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine (PubChem CID 118881013) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine.

Molecular Properties

Compound Name1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine
PubChem CID118881013
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine
SMILESC=c1c(C)c(OC)c2c(c1C)Sc1cc(C)ccc1N=2
InChIInChI=1S/C17H17NOS/c1-9-6-7-13-14(8-9)20-17-12(4)10(2)11(3)16(19-5)15(17)18-13/h6-8H,2H2,1,3-5H3
InChIKeyBPMNTPUHJUIJNB-UHFFFAOYSA-N
XLogP3.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine?
The IUPAC name of 1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine (CID 118881013) is 1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine.
What is the SMILES notation for 1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine?
The canonical SMILES for 1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine is C=c1c(C)c(OC)c2c(c1C)Sc1cc(C)ccc1N=2.
What is the InChIKey of 1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine?
The InChIKey is BPMNTPUHJUIJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-9-6-7-13-14(8-9)20-17-12(4)10(2)11(3)16(19-5)15(17)18-13/h6-8H,2H2,1,3-5H3.
What are the key properties of 1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine?
1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine has a molecular weight of 283.40 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,4,7-trimethyl-3-methylidenephenothiazine is sourced from PubChem (CID 118881013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).