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

C19H19N3O4S — CID 59725734

IUPAC1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1ccc(COc2ccccc2NC(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-24-16-8-7-13(11-17(16)25-2)12-26-15-6-4-3-5-14(15)21-18(23)22-19-20-9-10-27-19/h3-11H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyTWQYKNHZYYUFSK-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.38
Rot. Bonds7

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

1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59725734) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59725734
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1ccc(COc2ccccc2NC(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-24-16-8-7-13(11-17(16)25-2)12-26-15-6-4-3-5-14(15)21-18(23)22-19-20-9-10-27-19/h3-11H,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyTWQYKNHZYYUFSK-UHFFFAOYSA-N
XLogP4.38
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 21092461
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 108891342
3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110476504
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide
CID 9017937
2-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 1301072
1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732942
1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733062
1-(2-methoxyphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075779
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2926552

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea (CID 59725734) is 1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea is COc1ccc(COc2ccccc2NC(=O)Nc2nccs2)cc1OC.
What is the InChIKey of 1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is TWQYKNHZYYUFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-24-16-8-7-13(11-17(16)25-2)12-26-15-6-4-3-5-14(15)21-18(23)22-19-20-9-10-27-19/h3-11H,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 385.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59725734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).