3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride

C15H14Cl2N2OS — CID 24747135

IUPAC3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C15H13ClN2OS.ClH/c16-10-5-6-14-12(9-10)18(15(19)7-8-17)11-3-1-2-4-13(11)20-14;/h1-6,9H,7-8,17H2;1H
InChIKeyKDSXWWCQDZGHOO-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.24
Rot. Bonds2

About 3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride

3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride (PubChem CID 24747135) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
PubChem CID24747135
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C15H13ClN2OS.ClH/c16-10-5-6-14-12(9-10)18(15(19)7-8-17)11-3-1-2-4-13(11)20-14;/h1-6,9H,7-8,17H2;1H
InChIKeyKDSXWWCQDZGHOO-UHFFFAOYSA-N
XLogP4.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride
CID 146050838
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
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;hydrochloride
CID 2861917
1-(2-chlorophenothiazin-10-yl)-3-morpholin-4-ylpropan-1-one
CID 1304402
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
1-(2-chlorophenothiazin-10-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
CID 44658220
3-[4-(2-chlorophenothiazin-10-yl)-4-oxobutyl]-5-[3-[4-(2-chlorophenothiazin-10-yl)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4756386
1-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8557064
[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772493

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride (CID 24747135) is 3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride is Cl.NCCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride?
The InChIKey is KDSXWWCQDZGHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS.ClH/c16-10-5-6-14-12(9-10)18(15(19)7-8-17)11-3-1-2-4-13(11)20-14;/h1-6,9H,7-8,17H2;1H.
What are the key properties of 3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride?
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride has a molecular weight of 341.26 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 24747135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).