7-methoxy-10H-phenothiazine-3-carbonitrile

C14H10N2OS — CID 70690739

IUPAC7-methoxy-10H-phenothiazine-3-carbonitrile
SMILESCOc1ccc2c(c1)Sc1cc(C#N)ccc1N2
InChIInChI=1S/C14H10N2OS/c1-17-10-3-5-12-14(7-10)18-13-6-9(8-15)2-4-11(13)16-12/h2-7,16H,1H3
InChIKeyDTFZXCNEWDUDNS-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.78
Rot. Bonds1

About 7-methoxy-10H-phenothiazine-3-carbonitrile

7-methoxy-10H-phenothiazine-3-carbonitrile (PubChem CID 70690739) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 7-methoxy-10H-phenothiazine-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-10H-phenothiazine-3-carbonitrile
PubChem CID70690739
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name7-methoxy-10H-phenothiazine-3-carbonitrile
SMILESCOc1ccc2c(c1)Sc1cc(C#N)ccc1N2
InChIInChI=1S/C14H10N2OS/c1-17-10-3-5-12-14(7-10)18-13-6-9(8-15)2-4-11(13)16-12/h2-7,16H,1H3
InChIKeyDTFZXCNEWDUDNS-UHFFFAOYSA-N
XLogP3.78
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxy-10H-phenothiazine
CID 74491
3,7-Dimethoxy-10H-phenothiazine
CID 621196
4-[(3-oxo-4H-1,4-benzothiazin-7-yl)oxymethyl]benzonitrile
CID 168272466
3-methoxy-10H-phenothiazine 5,5-dioxide
CID 1547835
7-Methoxy-2-(trifluoromethyl)-10H-phenothiazine
CID 71402898
3-Ethoxy-7-(trifluoromethyl)-10H-phenothiazine
CID 71404366
7-Methoxy-1,2,3,10-tetrahydrocyclopenta[b]phenothiazine
CID 15309887
3-[(Propan-2-yl)oxy]-10H-phenothiazine
CID 22404595
3-Ethoxyphenothiazine
CID 86202346
7-Methoxy-3-phenyl-1,4-benzothiazine-4-carbonitrile
CID 102503274
10-(4-(t-Butyl)phenyl)-3,7-dimethoxy-10h-phenothiazine
CID 166606855
2-methoxy-7-(trifluoromethyl)-10H-phenothiazine
CID 72700036

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-10H-phenothiazine-3-carbonitrile?
The IUPAC name of 7-methoxy-10H-phenothiazine-3-carbonitrile (CID 70690739) is 7-methoxy-10H-phenothiazine-3-carbonitrile.
What is the SMILES notation for 7-methoxy-10H-phenothiazine-3-carbonitrile?
The canonical SMILES for 7-methoxy-10H-phenothiazine-3-carbonitrile is COc1ccc2c(c1)Sc1cc(C#N)ccc1N2.
What is the InChIKey of 7-methoxy-10H-phenothiazine-3-carbonitrile?
The InChIKey is DTFZXCNEWDUDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-17-10-3-5-12-14(7-10)18-13-6-9(8-15)2-4-11(13)16-12/h2-7,16H,1H3.
What are the key properties of 7-methoxy-10H-phenothiazine-3-carbonitrile?
7-methoxy-10H-phenothiazine-3-carbonitrile has a molecular weight of 254.31 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-10H-phenothiazine-3-carbonitrile is sourced from PubChem (CID 70690739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).