1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

C13H13F3N4O2S — CID 71857797

IUPAC1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2ccc(F)cc2OC(F)F)cs1
InChIInChI=1S/C13H13F3N4O2S/c1-17-13-19-8(6-23-13)5-18-12(21)20-9-3-2-7(14)4-10(9)22-11(15)16/h2-4,6,11H,5H2,1H3,(H,17,19)(H2,18,20,21)
InChIKeyFGOHRKWERMAYBX-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.25
Rot. Bonds6

About 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea

1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (PubChem CID 71857797) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
PubChem CID71857797
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC Name1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCNc1nc(CNC(=O)Nc2ccc(F)cc2OC(F)F)cs1
InChIInChI=1S/C13H13F3N4O2S/c1-17-13-19-8(6-23-13)5-18-12(21)20-9-3-2-7(14)4-10(9)22-11(15)16/h2-4,6,11H,5H2,1H3,(H,17,19)(H2,18,20,21)
InChIKeyFGOHRKWERMAYBX-UHFFFAOYSA-N
XLogP3.25
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea with MolForge

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Related Compounds

1-(2-cyano-4-fluorophenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857754
1-(3-fluoro-4-methylsulfanylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857801
1-(3-fluoro-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857778
3-[[2-(difluoromethoxy)-4-fluorophenyl]carbamoylamino]propanoic acid
CID 122085733
1-[4-[(2,2-difluoroethylamino)methyl]-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 86661301
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 122147106
1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 71919099
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea
CID 97261314
2-(3-fluoro-4-methoxyphenyl)-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]propanamide
CID 91212303
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533935
1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-(3-methyl-4-nitrophenyl)urea
CID 75518127

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea (CID 71857797) is 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is CNc1nc(CNC(=O)Nc2ccc(F)cc2OC(F)F)cs1.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
The InChIKey is FGOHRKWERMAYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c1-17-13-19-8(6-23-13)5-18-12(21)20-9-3-2-7(14)4-10(9)22-11(15)16/h2-4,6,11H,5H2,1H3,(H,17,19)(H2,18,20,21).
What are the key properties of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea?
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea has a molecular weight of 346.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea is sourced from PubChem (CID 71857797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).