1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol

C14H17FN2OS — CID 55112272

IUPAC1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCN(c1ccc(F)cc1)c1nc(C)c(C(C)O)s1
InChIInChI=1S/C14H17FN2OS/c1-4-17(12-7-5-11(15)6-8-12)14-16-9(2)13(19-14)10(3)18/h5-8,10,18H,4H2,1-3H3
InChIKeyBJBDNGHBTPPTJH-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.80
Rot. Bonds4

About 1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol

1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 55112272) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID55112272
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCN(c1ccc(F)cc1)c1nc(C)c(C(C)O)s1
InChIInChI=1S/C14H17FN2OS/c1-4-17(12-7-5-11(15)6-8-12)14-16-9(2)13(19-14)10(3)18/h5-8,10,18H,4H2,1-3H3
InChIKeyBJBDNGHBTPPTJH-UHFFFAOYSA-N
XLogP3.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 55112272) is 1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol is CCN(c1ccc(F)cc1)c1nc(C)c(C(C)O)s1.
What is the InChIKey of 1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is BJBDNGHBTPPTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-4-17(12-7-5-11(15)6-8-12)14-16-9(2)13(19-14)10(3)18/h5-8,10,18H,4H2,1-3H3.
What are the key properties of 1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 280.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 55112272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).