N-(2-ethoxyphenyl)morpholine-4-carbothioamide

C13H18N2O2S — CID 3863223

IUPACN-(2-ethoxyphenyl)morpholine-4-carbothioamide
SMILESCCOc1ccccc1NC(=S)N1CCOCC1
InChIInChI=1S/C13H18N2O2S/c1-2-17-12-6-4-3-5-11(12)14-13(18)15-7-9-16-10-8-15/h3-6H,2,7-10H2,1H3,(H,14,18)
InChIKeyJLBFUSVNPHVQNB-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.11
Rot. Bonds3

About N-(2-ethoxyphenyl)morpholine-4-carbothioamide

N-(2-ethoxyphenyl)morpholine-4-carbothioamide (PubChem CID 3863223) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)morpholine-4-carbothioamide
PubChem CID3863223
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(2-ethoxyphenyl)morpholine-4-carbothioamide
SMILESCCOc1ccccc1NC(=S)N1CCOCC1
InChIInChI=1S/C13H18N2O2S/c1-2-17-12-6-4-3-5-11(12)14-13(18)15-7-9-16-10-8-15/h3-6H,2,7-10H2,1H3,(H,14,18)
InChIKeyJLBFUSVNPHVQNB-UHFFFAOYSA-N
XLogP2.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-2,5-dihydropyrrole-1-carbothioamide
CID 23828847
N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carbothioamide
CID 23907854
4-[(3,4-dichlorophenyl)methyl]-N-(2-ethoxyphenyl)piperazine-1-carbothioamide
CID 2957065
2-[4-[(2-ethoxyphenyl)carbamothioyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 3738607
N-(2-ethoxyphenyl)-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide
CID 23940100
N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147
N-(2-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54831932
N-(2-ethoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide
CID 19289440
(Z)-3-(2-ethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843804
N-phenylmorpholine-4-carbothioamide
CID 139054920
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045923

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)morpholine-4-carbothioamide?
The IUPAC name of N-(2-ethoxyphenyl)morpholine-4-carbothioamide (CID 3863223) is N-(2-ethoxyphenyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(2-ethoxyphenyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(2-ethoxyphenyl)morpholine-4-carbothioamide is CCOc1ccccc1NC(=S)N1CCOCC1.
What is the InChIKey of N-(2-ethoxyphenyl)morpholine-4-carbothioamide?
The InChIKey is JLBFUSVNPHVQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-17-12-6-4-3-5-11(12)14-13(18)15-7-9-16-10-8-15/h3-6H,2,7-10H2,1H3,(H,14,18).
What are the key properties of N-(2-ethoxyphenyl)morpholine-4-carbothioamide?
N-(2-ethoxyphenyl)morpholine-4-carbothioamide has a molecular weight of 266.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)morpholine-4-carbothioamide is sourced from PubChem (CID 3863223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).