[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

C17H17ClN3O2S+ — CID 8772493

IUPAC[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClN3O2S/c1-19-16(22)9-20-10-17(23)21-12-4-2-3-5-14(12)24-15-7-6-11(18)8-13(15)21/h2-8,20H,9-10H2,1H3,(H,19,22)/p+1
InChIKeyWSEZJNHMXLSQQG-UHFFFAOYSA-O
MW362.86 g/mol
LogP1.78
Rot. Bonds4

About [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (PubChem CID 8772493) has the molecular formula C17H17ClN3O2S+ and a molecular weight of 362.86 g/mol. Its IUPAC name is [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
PubChem CID8772493
Molecular FormulaC17H17ClN3O2S+
Molecular Weight362.86 g/mol
Exact Mass362.07
IUPAC Name[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClN3O2S/c1-19-16(22)9-20-10-17(23)21-12-4-2-3-5-14(12)24-15-7-6-11(18)8-13(15)21/h2-8,20H,9-10H2,1H3,(H,19,22)/p+1
InChIKeyWSEZJNHMXLSQQG-UHFFFAOYSA-O
XLogP1.78
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
4-(2-chlorophenothiazin-10-yl)-4-oxo-N-phenylbutanamide
CID 102095506
2-azido-1-(2-chlorophenothiazin-10-yl)ethanone
CID 86728072
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
1-(2-chlorophenothiazin-10-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1160651
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698
1-(2-chlorophenothiazin-10-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 54337450
1-(2-chlorophenothiazin-10-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride
CID 43834134
1-(2-chlorophenothiazin-10-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 24600584
butyl-[2-[2-[butyl(carboxy)amino]ethyl-(2-chlorophenothiazine-10-carbonyl)amino]ethyl]carbamic acid
CID 90474500

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (CID 8772493) is [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium is CNC(=O)C[NH2+]CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The InChIKey is WSEZJNHMXLSQQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16ClN3O2S/c1-19-16(22)9-20-10-17(23)21-12-4-2-3-5-14(12)24-15-7-6-11(18)8-13(15)21/h2-8,20H,9-10H2,1H3,(H,19,22)/p+1.
What are the key properties of [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium has a molecular weight of 362.86 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8772493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).