3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea

C18H16ClN3O3S — CID 177198373

IUPAC3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(N(C)C(=O)Nc2ncc(Oc3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C18H16ClN3O3S/c1-22(13-6-8-14(24-2)9-7-13)18(23)21-17-20-11-16(26-17)25-15-5-3-4-12(19)10-15/h3-11H,1-2H3,(H,20,21,23)
InChIKeyFEWFTZRDUAPJPW-UHFFFAOYSA-N
MW389.86 g/mol
LogP5.27
Rot. Bonds5

About 3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea

3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea (PubChem CID 177198373) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea
PubChem CID177198373
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(N(C)C(=O)Nc2ncc(Oc3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C18H16ClN3O3S/c1-22(13-6-8-14(24-2)9-7-13)18(23)21-17-20-11-16(26-17)25-15-5-3-4-12(19)10-15/h3-11H,1-2H3,(H,20,21,23)
InChIKeyFEWFTZRDUAPJPW-UHFFFAOYSA-N
XLogP5.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.86
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(3-nitrophenyl)urea
CID 177198430
phenyl N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]carbamate
CID 177198357
1-[3-(dimethylaminosulfanyl)phenyl]-1-methyl-3-[5-(3-methylphenoxy)-1,3-thiazol-2-yl]urea
CID 177198311
1-(3-aminosulfanylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea
CID 177198734
1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea
CID 177198457
3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea
CID 177198519
3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea
CID 177198509
3-[5-(3-chloro-5-fluorophenoxy)-1,3-thiazol-2-yl]-1-[3-(cyclopropylamino)sulfanyl-4-fluorophenyl]-1-methylurea
CID 177198333
3-[5-(3,5-difluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(3-methylsulfinamoylphenyl)urea
CID 177198500
N-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 177198739
3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(3-morpholin-4-ylsulfinylphenyl)urea
CID 177198756
3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea
CID 177198466

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea?
The IUPAC name of 3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea (CID 177198373) is 3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea?
The canonical SMILES for 3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea is COc1ccc(N(C)C(=O)Nc2ncc(Oc3cccc(Cl)c3)s2)cc1.
What is the InChIKey of 3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea?
The InChIKey is FEWFTZRDUAPJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-22(13-6-8-14(24-2)9-7-13)18(23)21-17-20-11-16(26-17)25-15-5-3-4-12(19)10-15/h3-11H,1-2H3,(H,20,21,23).
What are the key properties of 3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea?
3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea has a molecular weight of 389.86 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 177198373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).