potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate

C19H19KN2O4S — CID 167811693

IUPACpotassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate
SMILESCC(O)CC(NC(=O)CN1c2ccccc2Sc2ccccc21)C(=O)[O-].[K+]
InChIInChI=1S/C19H20N2O4S.K/c1-12(22)10-13(19(24)25)20-18(23)11-21-14-6-2-4-8-16(14)26-17-9-5-3-7-15(17)21;/h2-9,12-13,22H,10-11H2,1H3,(H,20,23)(H,24,25);/q;+1/p-1
InChIKeyCRPJACDGZDMBLU-UHFFFAOYSA-M
MW410.54 g/mol
LogP-1.70
Rot. Bonds6

About potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate

potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate (PubChem CID 167811693) has the molecular formula C19H19KN2O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate.

Molecular Properties

Compound Namepotassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate
PubChem CID167811693
Molecular FormulaC19H19KN2O4S
Molecular Weight410.54 g/mol
Exact Mass410.07
IUPAC Namepotassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate
SMILESCC(O)CC(NC(=O)CN1c2ccccc2Sc2ccccc21)C(=O)[O-].[K+]
InChIInChI=1S/C19H20N2O4S.K/c1-12(22)10-13(19(24)25)20-18(23)11-21-14-6-2-4-8-16(14)26-17-9-5-3-7-15(17)21;/h2-9,12-13,22H,10-11H2,1H3,(H,20,23)(H,24,25);/q;+1/p-1
InChIKeyCRPJACDGZDMBLU-UHFFFAOYSA-M
XLogP-1.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenothiazin-10-ylacetate
CID 6988018
3-methyl-1-phenothiazin-10-ylbutan-2-one
CID 79395572
N-(1-hydroxypropan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 78857040
2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide
CID 156601403
N-[(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-2-phenothiazin-10-ylacetamide
CID 136644588
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30997351
N-butan-2-yl-2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetamide
CID 156601400
2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 92657358
2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide
CID 119731854
(2R,3R)-2,3-dihydroxybutanedioic acid;bis((2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine)
CID 91827206
1-[(2-phenothiazin-10-ylacetyl)amino]-1-phenylthiourea
CID 22302182
N-(1-hydroxybutan-2-yl)-3-phenothiazin-10-ylpropanamide
CID 112771464

Frequently Asked Questions

What is the IUPAC name of potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate?
The IUPAC name of potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate (CID 167811693) is potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate.
What is the SMILES notation for potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate?
The canonical SMILES for potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate is CC(O)CC(NC(=O)CN1c2ccccc2Sc2ccccc21)C(=O)[O-].[K+].
What is the InChIKey of potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate?
The InChIKey is CRPJACDGZDMBLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H20N2O4S.K/c1-12(22)10-13(19(24)25)20-18(23)11-21-14-6-2-4-8-16(14)26-17-9-5-3-7-15(17)21;/h2-9,12-13,22H,10-11H2,1H3,(H,20,23)(H,24,25);/q;+1/p-1.
What are the key properties of potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate?
potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate has a molecular weight of 410.54 g/mol, XLogP of -1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate is sourced from PubChem (CID 167811693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).