phenothiazin-10-yl(pyridin-3-yl)methanone

C18H12N2OS — CID 718425

IUPACphenothiazin-10-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H12N2OS/c21-18(13-6-5-11-19-12-13)20-14-7-1-3-9-16(14)22-17-10-4-2-8-15(17)20/h1-12H
InChIKeyWLCUKYHPYCYGCH-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.52
Rot. Bonds1

About phenothiazin-10-yl(pyridin-3-yl)methanone

phenothiazin-10-yl(pyridin-3-yl)methanone (PubChem CID 718425) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is phenothiazin-10-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Namephenothiazin-10-yl(pyridin-3-yl)methanone
PubChem CID718425
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Namephenothiazin-10-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H12N2OS/c21-18(13-6-5-11-19-12-13)20-14-7-1-3-9-16(14)22-17-10-4-2-8-15(17)20/h1-12H
InChIKeyWLCUKYHPYCYGCH-UHFFFAOYSA-N
XLogP4.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(phenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 941901
N-benzyl-2-phenylsulfanylpyridine-3-carboxamide
CID 4797191
N-cyclohexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 8083388
N-benzyl-N-phenylpyridine-3-carboxamide
CID 1245223
N-phenyl-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 10403803
6-benzylsulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 44775716
[2-[[5-[(4-Fluorophenyl)-(pyridin-4-ylmethyl)carbamoyl]-2-pyridinyl]sulfanylmethyl]phenyl]boronic acid
CID 91937333
N-hydroxy-6-(phenothiazin-10-ylmethyl)pyridine-3-carboxamide
CID 141733191
p-Sulfanilylnicotinanilide
CID 223187
3-Pyridyl 1,2,3,4-tetrahydroquinolyl ketone
CID 743438
4-benzyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 6619999
N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 9652358

Frequently Asked Questions

What is the IUPAC name of phenothiazin-10-yl(pyridin-3-yl)methanone?
The IUPAC name of phenothiazin-10-yl(pyridin-3-yl)methanone (CID 718425) is phenothiazin-10-yl(pyridin-3-yl)methanone.
What is the SMILES notation for phenothiazin-10-yl(pyridin-3-yl)methanone?
The canonical SMILES for phenothiazin-10-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of phenothiazin-10-yl(pyridin-3-yl)methanone?
The InChIKey is WLCUKYHPYCYGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-18(13-6-5-11-19-12-13)20-14-7-1-3-9-16(14)22-17-10-4-2-8-15(17)20/h1-12H.
What are the key properties of phenothiazin-10-yl(pyridin-3-yl)methanone?
phenothiazin-10-yl(pyridin-3-yl)methanone has a molecular weight of 304.37 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenothiazin-10-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 718425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).