ethylcarbamic acid;10H-phenothiazine

C15H16N2O2S — CID 57349508

IUPACethylcarbamic acid;10H-phenothiazine
SMILESCCNC(=O)O.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.C3H7NO2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-3(5)6/h1-8,13H;4H,2H2,1H3,(H,5,6)
InChIKeyXQNHLSAKEGCZQZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.17
Rot. Bonds1

About ethylcarbamic acid;10H-phenothiazine

ethylcarbamic acid;10H-phenothiazine (PubChem CID 57349508) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is ethylcarbamic acid;10H-phenothiazine.

Molecular Properties

Compound Nameethylcarbamic acid;10H-phenothiazine
PubChem CID57349508
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Nameethylcarbamic acid;10H-phenothiazine
SMILESCCNC(=O)O.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.C3H7NO2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-3(5)6/h1-8,13H;4H,2H2,1H3,(H,5,6)
InChIKeyXQNHLSAKEGCZQZ-UHFFFAOYSA-N
XLogP4.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

ethane;10H-phenothiazine
CID 90730014
diphenylmethanone;10H-phenothiazine
CID 175143888
ethyl N-(10H-phenothiazin-3-yl)carbamate
CID 15556094
ethyl 10H-phenothiazine-3-carboxylate
CID 163320845
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
boric acid;10H-phenothiazine
CID 159987394
copper;10H-phenothiazine;hydrochloride
CID 70634229
3-methyl-4H-1,4-benzothiazine-2-carboxylic acid
CID 4738066
N-ethyl-10H-phenothiazin-3-amine
CID 163231038
methoxyethane;3-methyl-4H-1,4-benzothiazine-2-carboxylic acid
CID 20980123
10H-phenothiazine-2-carboxylic acid;hydrochloride
CID 142625462
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548

Frequently Asked Questions

What is the IUPAC name of ethylcarbamic acid;10H-phenothiazine?
The IUPAC name of ethylcarbamic acid;10H-phenothiazine (CID 57349508) is ethylcarbamic acid;10H-phenothiazine.
What is the SMILES notation for ethylcarbamic acid;10H-phenothiazine?
The canonical SMILES for ethylcarbamic acid;10H-phenothiazine is CCNC(=O)O.c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of ethylcarbamic acid;10H-phenothiazine?
The InChIKey is XQNHLSAKEGCZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS.C3H7NO2/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-3(5)6/h1-8,13H;4H,2H2,1H3,(H,5,6).
What are the key properties of ethylcarbamic acid;10H-phenothiazine?
ethylcarbamic acid;10H-phenothiazine has a molecular weight of 288.37 g/mol, XLogP of 4.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcarbamic acid;10H-phenothiazine is sourced from PubChem (CID 57349508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).