1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea

C19H19N3O5S — CID 59732942

IUPAC1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1ccc(Oc2cccc(OC)c2OC)c(NC(=O)Nc2nccs2)c1
InChIInChI=1S/C19H19N3O5S/c1-24-12-7-8-14(27-16-6-4-5-15(25-2)17(16)26-3)13(11-12)21-18(23)22-19-20-9-10-28-19/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyLLMCTPHQYJWPDE-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.61
Rot. Bonds7

About 1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea

1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59732942) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59732942
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1ccc(Oc2cccc(OC)c2OC)c(NC(=O)Nc2nccs2)c1
InChIInChI=1S/C19H19N3O5S/c1-24-12-7-8-14(27-16-6-4-5-15(25-2)17(16)26-3)13(11-12)21-18(23)22-19-20-9-10-28-19/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyLLMCTPHQYJWPDE-UHFFFAOYSA-N
XLogP4.61
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733062
1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733019
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 21092461
2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide
CID 59732796
1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732941
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59725734
1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 88925883
(2,6-dimethoxyphenyl) N-(2,5-dimethoxyphenyl)carbamate
CID 3325255
2-(3-methoxyanilino)-2-sulfanylidene-N-(1,3-thiazol-2-yl)acetamide
CID 17386383
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 87308076
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea (CID 59732942) is 1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea is COc1ccc(Oc2cccc(OC)c2OC)c(NC(=O)Nc2nccs2)c1.
What is the InChIKey of 1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is LLMCTPHQYJWPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-24-12-7-8-14(27-16-6-4-5-15(25-2)17(16)26-3)13(11-12)21-18(23)22-19-20-9-10-28-19/h4-11H,1-3H3,(H2,20,21,22,23).
What are the key properties of 1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 401.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59732942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).