ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride

C19H22ClN3O3S — CID 2834214

IUPACethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1S2.Cl
InChIInChI=1S/C19H21N3O3S.ClH/c1-4-25-19(24)20-13-9-10-17-15(11-13)22(18(23)12-21(2)3)14-7-5-6-8-16(14)26-17;/h5-11H,4,12H2,1-3H3,(H,20,24);1H
InChIKeyZNVBVTSMTCQJNA-UHFFFAOYSA-N
MW407.92 g/mol
LogP4.37
Rot. Bonds4

About ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride

ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride (PubChem CID 2834214) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride
PubChem CID2834214
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Nameethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1S2.Cl
InChIInChI=1S/C19H21N3O3S.ClH/c1-4-25-19(24)20-13-9-10-17-15(11-13)22(18(23)12-21(2)3)14-7-5-6-8-16(14)26-17;/h5-11H,4,12H2,1-3H3,(H,20,24);1H
InChIKeyZNVBVTSMTCQJNA-UHFFFAOYSA-N
XLogP4.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride (CID 2834214) is ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride is CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(C)C)c1ccccc1S2.Cl.
What is the InChIKey of ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride?
The InChIKey is ZNVBVTSMTCQJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S.ClH/c1-4-25-19(24)20-13-9-10-17-15(11-13)22(18(23)12-21(2)3)14-7-5-6-8-16(14)26-17;/h5-11H,4,12H2,1-3H3,(H,20,24);1H.
What are the key properties of ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride?
ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride has a molecular weight of 407.92 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 2834214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).