1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea

C18H17FN4O5S2 — CID 59733019

IUPAC1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cccc(F)c1Oc1ccc(NS(C)(=O)=O)cc1NC(=O)Nc1nccs1
InChIInChI=1S/C18H17FN4O5S2/c1-27-15-5-3-4-12(19)16(15)28-14-7-6-11(23-30(2,25)26)10-13(14)21-17(24)22-18-20-8-9-29-18/h3-10,23H,1-2H3,(H2,20,21,22,24)
InChIKeyDVPSXIZTTXFLAU-UHFFFAOYSA-N
MW452.49 g/mol
LogP4.10
Rot. Bonds7

About 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea

1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59733019) has the molecular formula C18H17FN4O5S2 and a molecular weight of 452.49 g/mol. Its IUPAC name is 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59733019
Molecular FormulaC18H17FN4O5S2
Molecular Weight452.49 g/mol
Exact Mass452.06
IUPAC Name1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cccc(F)c1Oc1ccc(NS(C)(=O)=O)cc1NC(=O)Nc1nccs1
InChIInChI=1S/C18H17FN4O5S2/c1-27-15-5-3-4-12(19)16(15)28-14-7-6-11(23-30(2,25)26)10-13(14)21-17(24)22-18-20-8-9-29-18/h3-10,23H,1-2H3,(H2,20,21,22,24)
InChIKeyDVPSXIZTTXFLAU-UHFFFAOYSA-N
XLogP4.10
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

ethyl 2-[2-[[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetate
CID 59732733
1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732942
1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733062
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide
CID 59732796
1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 21092461
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59725734
2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid
CID 61187315
N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide
CID 87134001
2-[[2-(2-fluoro-6-methoxyphenoxy)-5-[methyl(sulfino)amino]phenyl]carbamoylamino]-4-[2-(methylamino)-2-oxoethyl]-1,3-thiazole
CID 118362145
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea
CID 58931501

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 59733019) is 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea is COc1cccc(F)c1Oc1ccc(NS(C)(=O)=O)cc1NC(=O)Nc1nccs1.
What is the InChIKey of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is DVPSXIZTTXFLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O5S2/c1-27-15-5-3-4-12(19)16(15)28-14-7-6-11(23-30(2,25)26)10-13(14)21-17(24)22-18-20-8-9-29-18/h3-10,23H,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 452.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-6-methoxyphenoxy)-5-(methanesulfonamido)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59733019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).