1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea

C16H20N4OS2 — CID 8656184

IUPAC1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea
SMILESS=C(NCCN1CCOCC1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H20N4OS2/c22-16(18-5-7-20-8-10-21-11-9-20)19-14-3-1-13(2-4-14)15-17-6-12-23-15/h1-4,6,12H,5,7-11H2,(H2,18,19,22)
InChIKeyKNMBKNFUYRZPSL-UHFFFAOYSA-N
MW348.50 g/mol
LogP2.43
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea

1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea (PubChem CID 8656184) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea
PubChem CID8656184
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea
SMILESS=C(NCCN1CCOCC1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H20N4OS2/c22-16(18-5-7-20-8-10-21-11-9-20)19-14-3-1-13(2-4-14)15-17-6-12-23-15/h1-4,6,12H,5,7-11H2,(H2,18,19,22)
InChIKeyKNMBKNFUYRZPSL-UHFFFAOYSA-N
XLogP2.43
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea 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-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545810
1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea
CID 18286603
1-(4-butylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 2192072
1-[4-(1-adamantyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 8659923
1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea
CID 8656213
1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 8618749
1-[4-(ethylsulfamoyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 17255659
1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 8660334
1-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8564807
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
1-[4-(difluoromethylsulfanyl)phenyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 2373595

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea (CID 8656184) is 1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea is S=C(NCCN1CCOCC1)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea?
The InChIKey is KNMBKNFUYRZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS2/c22-16(18-5-7-20-8-10-21-11-9-20)19-14-3-1-13(2-4-14)15-17-6-12-23-15/h1-4,6,12H,5,7-11H2,(H2,18,19,22).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea?
1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea has a molecular weight of 348.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea is sourced from PubChem (CID 8656184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).