1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea

C18H29N3O3S — CID 9054017

IUPAC1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1cc(C)c(CN(C)C(=S)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H29N3O3S/c1-14-11-16(22-3)17(23-4)12-15(14)13-20(2)18(25)19-5-6-21-7-9-24-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,25)
InChIKeyRSEJYEMSCGBFCJ-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.65
Rot. Bonds7

About 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea

1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 9054017) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID9054017
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1cc(C)c(CN(C)C(=S)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C18H29N3O3S/c1-14-11-16(22-3)17(23-4)12-15(14)13-20(2)18(25)19-5-6-21-7-9-24-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,25)
InChIKeyRSEJYEMSCGBFCJ-UHFFFAOYSA-N
XLogP1.65
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 2400156
1-(2-morpholin-4-ylethyl)-3-[(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 2369734
1-benzyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 8656769
1-[(3,4-dimethoxyphenyl)methyl]-3-hexyl-1-(2-morpholin-4-ylethyl)thiourea
CID 5066646
1-[(2,4-dimethoxyphenyl)methyl]-3-(3,4-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 4185597
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974407
1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 4622864
1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 3171923
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110770137
3-(2-chloro-6-methylphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 3545236

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea (CID 9054017) is 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea is COc1cc(C)c(CN(C)C(=S)NCCN2CCOCC2)cc1OC.
What is the InChIKey of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is RSEJYEMSCGBFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-14-11-16(22-3)17(23-4)12-15(14)13-20(2)18(25)19-5-6-21-7-9-24-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,25).
What are the key properties of 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea?
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 367.52 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methyl-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 9054017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).