[2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol

C15H13ClFNOS — CID 122476941

IUPAC[2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1nc(-c2ccc(F)c(Cl)c2)sc1/C=C/C1CC1
InChIInChI=1S/C15H13ClFNOS/c16-11-7-10(4-5-12(11)17)15-18-13(8-19)14(20-15)6-3-9-1-2-9/h3-7,9,19H,1-2,8H2/b6-3+
InChIKeyBEESTGQFKOHQQB-ZZXKWVIFSA-N
MW309.79 g/mol
LogP4.52
Rot. Bonds4

About [2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol

[2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol (PubChem CID 122476941) has the molecular formula C15H13ClFNOS and a molecular weight of 309.79 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol
PubChem CID122476941
Molecular FormulaC15H13ClFNOS
Molecular Weight309.79 g/mol
Exact Mass309.04
IUPAC Name[2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol
SMILESOCc1nc(-c2ccc(F)c(Cl)c2)sc1/C=C/C1CC1
InChIInChI=1S/C15H13ClFNOS/c16-11-7-10(4-5-12(11)17)15-18-13(8-19)14(20-15)6-3-9-1-2-9/h3-7,9,19H,1-2,8H2/b6-3+
InChIKeyBEESTGQFKOHQQB-ZZXKWVIFSA-N
XLogP4.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol (CID 122476941) is [2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol is OCc1nc(-c2ccc(F)c(Cl)c2)sc1/C=C/C1CC1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is BEESTGQFKOHQQB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H13ClFNOS/c16-11-7-10(4-5-12(11)17)15-18-13(8-19)14(20-15)6-3-9-1-2-9/h3-7,9,19H,1-2,8H2/b6-3+.
What are the key properties of [2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol?
[2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 309.79 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)-5-[(E)-2-cyclopropylethenyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 122476941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).