1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea

C19H19N3O3S — CID 78892965

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2ncc(-c3ccccc3)s2)c(OC)c1
InChIInChI=1S/C19H19N3O3S/c1-24-15-9-8-14(16(10-15)25-2)11-20-18(23)22-19-21-12-17(26-19)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,20,21,22,23)
InChIKeyNSNXOMVIRZKBPE-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.15
Rot. Bonds6

About 1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea

1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 78892965) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
PubChem CID78892965
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2ncc(-c3ccccc3)s2)c(OC)c1
InChIInChI=1S/C19H19N3O3S/c1-24-15-9-8-14(16(10-15)25-2)11-20-18(23)22-19-21-12-17(26-19)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,20,21,22,23)
InChIKeyNSNXOMVIRZKBPE-UHFFFAOYSA-N
XLogP4.15
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 5126515
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654828
1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 110774913
3-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66164937
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-5-phenyl-1,3-oxazole-4-carboxamide
CID 141373361
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116904
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide
CID 120587952
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
(2,4-dimethoxyphenyl)methylurea
CID 53362457

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea (CID 78892965) is 1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea is COc1ccc(CNC(=O)Nc2ncc(-c3ccccc3)s2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is NSNXOMVIRZKBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-15-9-8-14(16(10-15)25-2)11-20-18(23)22-19-21-12-17(26-19)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 369.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 78892965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).