1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C15H19N3O3S — CID 108891338

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2nc(C)cs2)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-10-9-22-15(17-10)18-14(19)16-7-6-11-4-5-12(20-2)13(8-11)21-3/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyOIMLYRCPCMVWDR-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 108891338) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID108891338
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2nc(C)cs2)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-10-9-22-15(17-10)18-14(19)16-7-6-11-4-5-12(20-2)13(8-11)21-3/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyOIMLYRCPCMVWDR-UHFFFAOYSA-N
XLogP2.83
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891596
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 108891342
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885476
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,3-diphenylprop-2-enylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 139716073
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29131227
1-(3-bromo-4-methylphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108989692

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 108891338) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is COc1ccc(CCNC(=O)Nc2nc(C)cs2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is OIMLYRCPCMVWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-9-22-15(17-10)18-14(19)16-7-6-11-4-5-12(20-2)13(8-11)21-3/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 321.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 108891338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).