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

C20H21N3O3S — CID 71691444

IUPAC1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
SMILESCOc1ccc(NC(=O)NCCc2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-25-16-7-3-14(4-8-16)18-13-27-19(23-18)11-12-21-20(24)22-15-5-9-17(26-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H2,21,22,24)
InChIKeyQNVYPLNZGKNPBX-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.19
Rot. Bonds7

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

1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea (PubChem CID 71691444) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
PubChem CID71691444
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
SMILESCOc1ccc(NC(=O)NCCc2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-25-16-7-3-14(4-8-16)18-13-27-19(23-18)11-12-21-20(24)22-15-5-9-17(26-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H2,21,22,24)
InChIKeyQNVYPLNZGKNPBX-UHFFFAOYSA-N
XLogP4.19
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-(4-nitrophenyl)urea
CID 47076384
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 71691474
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
CID 39071719
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 75537694
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 39071753
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47076382
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea (CID 71691444) is 1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea is COc1ccc(NC(=O)NCCc2nc(-c3ccc(OC)cc3)cs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea?
The InChIKey is QNVYPLNZGKNPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-25-16-7-3-14(4-8-16)18-13-27-19(23-18)11-12-21-20(24)22-15-5-9-17(26-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea?
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea has a molecular weight of 383.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea is sourced from PubChem (CID 71691444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).