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

C20H21N3O3S — CID 4685723

IUPAC1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-4-26-16-8-6-15(7-9-16)21-19(24)23-20-22-17(12-27-20)14-5-10-18(25-3)13(2)11-14/h5-12H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyHPBJRBDYQOLSDZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP5.17
Rot. Bonds6

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

1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea (PubChem CID 4685723) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea
PubChem CID4685723
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-4-26-16-8-6-15(7-9-16)21-19(24)23-20-22-17(12-27-20)14-5-10-18(25-3)13(2)11-14/h5-12H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyHPBJRBDYQOLSDZ-UHFFFAOYSA-N
XLogP5.17
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.47
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3533618
1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081028
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321
2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173202
3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220682
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045194
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
1-[4-(7-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 30349569
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 3590296
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 3267150
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406670

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea (CID 4685723) is 1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea is CCOc1ccc(NC(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is HPBJRBDYQOLSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-26-16-8-6-15(7-9-16)21-19(24)23-20-22-17(12-27-20)14-5-10-18(25-3)13(2)11-14/h5-12H,4H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea?
1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 383.47 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 4685723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).