1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea

C18H16FN3O5S2 — CID 1497734

IUPAC1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea
SMILESCOc1ccc(-c2csc(NC(=O)NS(=O)(=O)c3ccccc3F)n2)cc1OC
InChIInChI=1S/C18H16FN3O5S2/c1-26-14-8-7-11(9-15(14)27-2)13-10-28-18(20-13)21-17(23)22-29(24,25)16-6-4-3-5-12(16)19/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyFDJPRDVBUKHBLM-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.48
Rot. Bonds6

About 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea

1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea (PubChem CID 1497734) has the molecular formula C18H16FN3O5S2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea
PubChem CID1497734
Molecular FormulaC18H16FN3O5S2
Molecular Weight437.47 g/mol
Exact Mass437.05
IUPAC Name1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea
SMILESCOc1ccc(-c2csc(NC(=O)NS(=O)(=O)c3ccccc3F)n2)cc1OC
InChIInChI=1S/C18H16FN3O5S2/c1-26-14-8-7-11(9-15(14)27-2)13-10-28-18(20-13)21-17(23)22-29(24,25)16-6-4-3-5-12(16)19/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyFDJPRDVBUKHBLM-UHFFFAOYSA-N
XLogP3.48
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32936510
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
4-(benzenesulfonamido)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16803056
3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 46667735
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 43405521
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121044329
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylanilino)acetamide
CID 78822990
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea?
The IUPAC name of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea (CID 1497734) is 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea.
What is the SMILES notation for 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea?
The canonical SMILES for 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea is COc1ccc(-c2csc(NC(=O)NS(=O)(=O)c3ccccc3F)n2)cc1OC.
What is the InChIKey of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea?
The InChIKey is FDJPRDVBUKHBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5S2/c1-26-14-8-7-11(9-15(14)27-2)13-10-28-18(20-13)21-17(23)22-29(24,25)16-6-4-3-5-12(16)19/h3-10H,1-2H3,(H2,20,21,22,23).
What are the key properties of 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea?
1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea has a molecular weight of 437.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea is sourced from PubChem (CID 1497734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).