4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol

C17H19FN2OS — CID 141200208

IUPAC4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol
SMILESCC(C)N1CC(O)=C(c2ncc(Cc3ccc(F)cc3)s2)C1
InChIInChI=1S/C17H19FN2OS/c1-11(2)20-9-15(16(21)10-20)17-19-8-14(22-17)7-12-3-5-13(18)6-4-12/h3-6,8,11,21H,7,9-10H2,1-2H3
InChIKeyZQUJYGXCTJJGNG-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.87
Rot. Bonds4

About 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol

4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol (PubChem CID 141200208) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol
PubChem CID141200208
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol
SMILESCC(C)N1CC(O)=C(c2ncc(Cc3ccc(F)cc3)s2)C1
InChIInChI=1S/C17H19FN2OS/c1-11(2)20-9-15(16(21)10-20)17-19-8-14(22-17)7-12-3-5-13(18)6-4-12/h3-6,8,11,21H,7,9-10H2,1-2H3
InChIKeyZQUJYGXCTJJGNG-UHFFFAOYSA-N
XLogP3.87
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol (CID 141200208) is 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol is CC(C)N1CC(O)=C(c2ncc(Cc3ccc(F)cc3)s2)C1.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol?
The InChIKey is ZQUJYGXCTJJGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-11(2)20-9-15(16(21)10-20)17-19-8-14(22-17)7-12-3-5-13(18)6-4-12/h3-6,8,11,21H,7,9-10H2,1-2H3.
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol?
4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol has a molecular weight of 318.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-propan-2-yl-2,5-dihydropyrrol-3-ol is sourced from PubChem (CID 141200208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).