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

C19H19N3O4S — CID 2307751

IUPAC1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1
InChIInChI=1S/C19H19N3O4S/c1-24-14-6-4-5-13(10-14)20-18(23)22-19-21-15(11-27-19)12-7-8-16(25-2)17(9-12)26-3/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyHGSUMHXWPLRTOW-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.48
Rot. Bonds6

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

1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea (PubChem CID 2307751) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea
PubChem CID2307751
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1
InChIInChI=1S/C19H19N3O4S/c1-24-14-6-4-5-13(10-14)20-18(23)22-19-21-15(11-27-19)12-7-8-16(25-2)17(9-12)26-3/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyHGSUMHXWPLRTOW-UHFFFAOYSA-N
XLogP4.48
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyridin-2-amine
CID 1092442
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387892
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 2444242
N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 4791502
3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 24818334
N~2~-[2-(3,4-dimethoxyphenyl)ethyl]-4'-methyl-4,5'-bi-1,3-thiazole-2,2'-diamine
CID 1108286

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea (CID 2307751) is 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1.
What is the InChIKey of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea?
The InChIKey is HGSUMHXWPLRTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-24-14-6-4-5-13(10-14)20-18(23)22-19-21-15(11-27-19)12-7-8-16(25-2)17(9-12)26-3/h4-11H,1-3H3,(H2,20,21,22,23).
What are the key properties of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea?
1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea has a molecular weight of 385.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 2307751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).