1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea

C16H20FN3OS — CID 70519519

IUPAC1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea
SMILESCCCN(C)C(=O)N(CC)c1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C16H20FN3OS/c1-4-10-19(3)16(21)20(5-2)15-11-14(18-22-15)12-6-8-13(17)9-7-12/h6-9,11H,4-5,10H2,1-3H3
InChIKeyBJYBPZRHGGBGPI-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.24
Rot. Bonds5

About 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea

1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea (PubChem CID 70519519) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea.

Molecular Properties

Compound Name1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea
PubChem CID70519519
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea
SMILESCCCN(C)C(=O)N(CC)c1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C16H20FN3OS/c1-4-10-19(3)16(21)20(5-2)15-11-14(18-22-15)12-6-8-13(17)9-7-12/h6-9,11H,4-5,10H2,1-3H3
InChIKeyBJYBPZRHGGBGPI-UHFFFAOYSA-N
XLogP4.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea?
The IUPAC name of 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea (CID 70519519) is 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea.
What is the SMILES notation for 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea?
The canonical SMILES for 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea is CCCN(C)C(=O)N(CC)c1cc(-c2ccc(F)cc2)ns1.
What is the InChIKey of 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea?
The InChIKey is BJYBPZRHGGBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-4-10-19(3)16(21)20(5-2)15-11-14(18-22-15)12-6-8-13(17)9-7-12/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea?
1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea has a molecular weight of 321.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[3-(4-fluorophenyl)-1,2-thiazol-5-yl]-3-methyl-3-propylurea is sourced from PubChem (CID 70519519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).