1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea

C17H22FN3O2S — CID 97456882

IUPAC1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea
SMILESCCOc1ccc(NC(=O)N(C)[C@H](C)c2nc(C)sc2C)c(F)c1
InChIInChI=1S/C17H22FN3O2S/c1-6-23-13-7-8-15(14(18)9-13)20-17(22)21(5)10(2)16-11(3)24-12(4)19-16/h7-10H,6H2,1-5H3,(H,20,22)/t10-/m1/s1
InChIKeyFROMBZJJBYOASE-SNVBAGLBSA-N
MW351.45 g/mol
LogP4.52
Rot. Bonds5

About 1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea

1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea (PubChem CID 97456882) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea
PubChem CID97456882
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC Name1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea
SMILESCCOc1ccc(NC(=O)N(C)[C@H](C)c2nc(C)sc2C)c(F)c1
InChIInChI=1S/C17H22FN3O2S/c1-6-23-13-7-8-15(14(18)9-13)20-17(22)21(5)10(2)16-11(3)24-12(4)19-16/h7-10H,6H2,1-5H3,(H,20,22)/t10-/m1/s1
InChIKeyFROMBZJJBYOASE-SNVBAGLBSA-N
XLogP4.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea with MolForge

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Related Compounds

3-(2H-benzotriazol-4-yl)-1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylurea
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1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-[3-(methanesulfonamido)phenyl]-1-methylurea
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1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea
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1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea
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4-ethoxy-2-fluoro-N-methylaniline
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea?
The IUPAC name of 1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea (CID 97456882) is 1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea.
What is the SMILES notation for 1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea?
The canonical SMILES for 1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea is CCOc1ccc(NC(=O)N(C)[C@H](C)c2nc(C)sc2C)c(F)c1.
What is the InChIKey of 1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea?
The InChIKey is FROMBZJJBYOASE-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c1-6-23-13-7-8-15(14(18)9-13)20-17(22)21(5)10(2)16-11(3)24-12(4)19-16/h7-10H,6H2,1-5H3,(H,20,22)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea?
1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea has a molecular weight of 351.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-ethoxy-2-fluorophenyl)-1-methylurea is sourced from PubChem (CID 97456882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).