1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea

C15H19N3O3S — CID 53499388

IUPAC1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc(C)c(C(C)NC(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-9-7-12(20-3)13(21-4)8-11(9)10(2)17-14(19)18-15-16-5-6-22-15/h5-8,10H,1-4H3,(H2,16,17,18,19)
InChIKeyGOEFXJBDXMWCQV-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.35
Rot. Bonds5

About 1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea

1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 53499388) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID53499388
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc(C)c(C(C)NC(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-9-7-12(20-3)13(21-4)8-11(9)10(2)17-14(19)18-15-16-5-6-22-15/h5-8,10H,1-4H3,(H2,16,17,18,19)
InChIKeyGOEFXJBDXMWCQV-UHFFFAOYSA-N
XLogP3.35
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea
CID 51944210
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82506108
2-hydroxy-4,5-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 141049066
1-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029431
[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
CID 137352458
5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78878462
3-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 87006598
3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110476504

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea (CID 53499388) is 1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea is COc1cc(C)c(C(C)NC(=O)Nc2nccs2)cc1OC.
What is the InChIKey of 1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is GOEFXJBDXMWCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-7-12(20-3)13(21-4)8-11(9)10(2)17-14(19)18-15-16-5-6-22-15/h5-8,10H,1-4H3,(H2,16,17,18,19).
What are the key properties of 1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea?
1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 321.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 53499388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).