2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone

C19H17N3OS2 — CID 16765235

IUPAC2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone
SMILESCc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)[nH]c1C
InChIInChI=1S/C19H17N3OS2/c1-12-13(2)21-19(20-12)24-11-18(23)22-14-7-3-5-9-16(14)25-17-10-6-4-8-15(17)22/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyZNIZDJPPYIRQDP-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.95
Rot. Bonds3

About 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone

2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone (PubChem CID 16765235) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone
PubChem CID16765235
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone
SMILESCc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)[nH]c1C
InChIInChI=1S/C19H17N3OS2/c1-12-13(2)21-19(20-12)24-11-18(23)22-14-7-3-5-9-16(14)25-17-10-6-4-8-15(17)22/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyZNIZDJPPYIRQDP-UHFFFAOYSA-N
XLogP4.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone (CID 16765235) is 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone is Cc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)[nH]c1C.
What is the InChIKey of 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone?
The InChIKey is ZNIZDJPPYIRQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-12-13(2)21-19(20-12)24-11-18(23)22-14-7-3-5-9-16(14)25-17-10-6-4-8-15(17)22/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone?
2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone has a molecular weight of 367.50 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 16765235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).