1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea

C19H19N3O4S — CID 59733062

IUPAC1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cccc(Oc2cc(C)ccc2NC(=O)Nc2nccs2)c1OC
InChIInChI=1S/C19H19N3O4S/c1-12-7-8-13(21-18(23)22-19-20-9-10-27-19)16(11-12)26-15-6-4-5-14(24-2)17(15)25-3/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeySDDNQGCSMSTDPT-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.91
Rot. Bonds6

About 1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea

1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59733062) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59733062
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cccc(Oc2cc(C)ccc2NC(=O)Nc2nccs2)c1OC
InChIInChI=1S/C19H19N3O4S/c1-12-7-8-13(21-18(23)22-19-20-9-10-27-19)16(11-12)26-15-6-4-5-14(24-2)17(15)25-3/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeySDDNQGCSMSTDPT-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732942
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
1-[4-methyl-2-(3-methylbut-2-enoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733134
1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 21092461
1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732830
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
1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733019
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732966
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea (CID 59733062) is 1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea is COc1cccc(Oc2cc(C)ccc2NC(=O)Nc2nccs2)c1OC.
What is the InChIKey of 1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is SDDNQGCSMSTDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-7-8-13(21-18(23)22-19-20-9-10-27-19)16(11-12)26-15-6-4-5-14(24-2)17(15)25-3/h4-11H,1-3H3,(H2,20,21,22,23).
What are the key properties of 1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 385.45 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59733062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).