1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea

C19H31N3O2S — CID 4622864

IUPAC1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1ccccc1CN(CCN1CCOCC1)C(=S)NCC(C)C
InChIInChI=1S/C19H31N3O2S/c1-16(2)14-20-19(25)22(9-8-21-10-12-24-13-11-21)15-17-6-4-5-7-18(17)23-3/h4-7,16H,8-15H2,1-3H3,(H,20,25)
InChIKeyMAHHHOCPBLXHQE-UHFFFAOYSA-N
MW365.54 g/mol
LogP2.36
Rot. Bonds8

About 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea

1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea (PubChem CID 4622864) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea
PubChem CID4622864
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1ccccc1CN(CCN1CCOCC1)C(=S)NCC(C)C
InChIInChI=1S/C19H31N3O2S/c1-16(2)14-20-19(25)22(9-8-21-10-12-24-13-11-21)15-17-6-4-5-7-18(17)23-3/h4-7,16H,8-15H2,1-3H3,(H,20,25)
InChIKeyMAHHHOCPBLXHQE-UHFFFAOYSA-N
XLogP2.36
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)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-methylphenyl)methyl]-3-(2-methylpropyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 4192966
3-(2-chloro-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 5112436
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42695927
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 4059568
1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 3449736
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113117675
3-(4-chloro-3-methoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 4099431
1-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylthiourea
CID 4112704
1-[(3,4-dimethoxyphenyl)methyl]-3-hexyl-1-(2-morpholin-4-ylethyl)thiourea
CID 5066646
3-(4-chloro-2-methoxyphenyl)-1-[(2-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 17387905
3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea
CID 4109278

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea (CID 4622864) is 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea is COc1ccccc1CN(CCN1CCOCC1)C(=S)NCC(C)C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is MAHHHOCPBLXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-16(2)14-20-19(25)22(9-8-21-10-12-24-13-11-21)15-17-6-4-5-7-18(17)23-3/h4-7,16H,8-15H2,1-3H3,(H,20,25).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea?
1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 365.54 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 4622864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).