1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea

C17H25N3O2S — CID 51559955

IUPAC1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C17H25N3O2S/c1-3-8-18-17(23)19-13-16(20-9-11-22-12-10-20)14-4-6-15(21-2)7-5-14/h3-7,16H,1,8-13H2,2H3,(H2,18,19,23)/t16-/m0/s1
InChIKeyIHGCXICZLFUDDG-INIZCTEOSA-N
MW335.47 g/mol
LogP1.72
Rot. Bonds7

About 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea

1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea (PubChem CID 51559955) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea
PubChem CID51559955
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1
InChIInChI=1S/C17H25N3O2S/c1-3-8-18-17(23)19-13-16(20-9-11-22-12-10-20)14-4-6-15(21-2)7-5-14/h3-7,16H,1,8-13H2,2H3,(H2,18,19,23)/t16-/m0/s1
InChIKeyIHGCXICZLFUDDG-INIZCTEOSA-N
XLogP1.72
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea 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

1-(4-chlorophenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8788342
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiourea
CID 27057461
1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-nitrophenyl)thiourea
CID 8683659
1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8788390
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride
CID 119829745
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea?
The IUPAC name of 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea (CID 51559955) is 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea is C=CCNC(=S)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1.
What is the InChIKey of 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea?
The InChIKey is IHGCXICZLFUDDG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-3-8-18-17(23)19-13-16(20-9-11-22-12-10-20)14-4-6-15(21-2)7-5-14/h3-7,16H,1,8-13H2,2H3,(H2,18,19,23)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea?
1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea has a molecular weight of 335.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-prop-2-enylthiourea is sourced from PubChem (CID 51559955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).