2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride

C19H17ClN2O2S — CID 2936524

IUPAC2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride
SMILESCl.O=C(CNCc1ccco1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H16N2O2S.ClH/c22-19(13-20-12-14-6-5-11-23-14)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21;/h1-11,20H,12-13H2;1H
InChIKeyBZVAKIINURNOJU-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.62
Rot. Bonds4

About 2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride

2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride (PubChem CID 2936524) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride
PubChem CID2936524
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride
SMILESCl.O=C(CNCc1ccco1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H16N2O2S.ClH/c22-19(13-20-12-14-6-5-11-23-14)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21;/h1-11,20H,12-13H2;1H
InChIKeyBZVAKIINURNOJU-UHFFFAOYSA-N
XLogP4.62
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone
CID 66507488
2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone
CID 23744213
2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
CID 6602692
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
N-benzhydryl-2-(furan-2-ylmethylamino)acetamide
CID 1459234
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991
N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076
2-amino-N'-(2-oxo-2-phenothiazin-10-ylethyl)propanehydrazide
CID 53461661
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
N-(furan-2-ylmethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 4668742
2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
CID 75384925
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride?
The IUPAC name of 2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride (CID 2936524) is 2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride?
The canonical SMILES for 2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride is Cl.O=C(CNCc1ccco1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride?
The InChIKey is BZVAKIINURNOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S.ClH/c22-19(13-20-12-14-6-5-11-23-14)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21;/h1-11,20H,12-13H2;1H.
What are the key properties of 2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride?
2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride has a molecular weight of 372.88 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride is sourced from PubChem (CID 2936524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).