N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide

C17H10Cl2N4OS — CID 2045214

IUPACN-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H10Cl2N4OS/c18-15-14(16(19)21-9-20-15)22-17(24)23-10-5-1-3-7-12(10)25-13-8-4-2-6-11(13)23/h1-9H,(H,22,24)
InChIKeyZRELJYKLTXRUFJ-UHFFFAOYSA-N
MW389.27 g/mol
LogP5.62
Rot. Bonds1

About N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide

N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide (PubChem CID 2045214) has the molecular formula C17H10Cl2N4OS and a molecular weight of 389.27 g/mol. Its IUPAC name is N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide
PubChem CID2045214
Molecular FormulaC17H10Cl2N4OS
Molecular Weight389.27 g/mol
Exact Mass388.00
IUPAC NameN-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H10Cl2N4OS/c18-15-14(16(19)21-9-20-15)22-17(24)23-10-5-1-3-7-12(10)25-13-8-4-2-6-11(13)23/h1-9H,(H,22,24)
InChIKeyZRELJYKLTXRUFJ-UHFFFAOYSA-N
XLogP5.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.27
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide?
The IUPAC name of N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide (CID 2045214) is N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide is O=C(Nc1c(Cl)ncnc1Cl)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide?
The InChIKey is ZRELJYKLTXRUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4OS/c18-15-14(16(19)21-9-20-15)22-17(24)23-10-5-1-3-7-12(10)25-13-8-4-2-6-11(13)23/h1-9H,(H,22,24).
What are the key properties of N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide?
N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide has a molecular weight of 389.27 g/mol, XLogP of 5.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide is sourced from PubChem (CID 2045214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).