methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate

C21H24N2O2S — CID 14257642

IUPACmethyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc2c(c1)Sc1ccccc1N2CC(C)N(C)C
InChIInChI=1S/C21H24N2O2S/c1-15(22(2)3)14-23-17-7-5-6-8-19(17)26-20-13-16(9-11-18(20)23)10-12-21(24)25-4/h5-13,15H,14H2,1-4H3/b12-10+
InChIKeySFZWXXCAXDLHPK-ZRDIBKRKSA-N
MW368.50 g/mol
LogP4.43
Rot. Bonds5

About methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate

methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate (PubChem CID 14257642) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate
PubChem CID14257642
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Namemethyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc2c(c1)Sc1ccccc1N2CC(C)N(C)C
InChIInChI=1S/C21H24N2O2S/c1-15(22(2)3)14-23-17-7-5-6-8-19(17)26-20-13-16(9-11-18(20)23)10-12-21(24)25-4/h5-13,15H,14H2,1-4H3/b12-10+
InChIKeySFZWXXCAXDLHPK-ZRDIBKRKSA-N
XLogP4.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride
CID 68867493
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide
CID 138399821
(2-oxo-2-phenothiazin-10-ylethyl) 3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 3343063
benzoic acid;N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine
CID 175196790
N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride
CID 23615719
N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine;hydron;chloride
CID 74763974
(Z)-but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 6420056
methyl (2E)-2-(3-propyl-1,3-benzothiazol-2-ylidene)acetate
CID 177478626
methyl (E)-3-[1-[(2-chlorophenyl)methyl]-2,3-dioxoindol-5-yl]prop-2-enoate
CID 90645764
10-pentyl-3-[(E)-2-[10-[(E)-2-(10-pentylphenothiazin-3-yl)ethenyl]anthracen-9-yl]ethenyl]phenothiazine
CID 102337094
(2R)-N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrochloride
CID 174943427
CID 11992074
CID 11992074

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate (CID 14257642) is methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate is COC(=O)/C=C/c1ccc2c(c1)Sc1ccccc1N2CC(C)N(C)C.
What is the InChIKey of methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate?
The InChIKey is SFZWXXCAXDLHPK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15(22(2)3)14-23-17-7-5-6-8-19(17)26-20-13-16(9-11-18(20)23)10-12-21(24)25-4/h5-13,15H,14H2,1-4H3/b12-10+.
What are the key properties of methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate?
methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate has a molecular weight of 368.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[10-[2-(dimethylamino)propyl]phenothiazin-3-yl]prop-2-enoate is sourced from PubChem (CID 14257642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).