N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide

C14H15FN2O2S — CID 86649988

IUPACN-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCc2ccc(CO)c(F)c2)cs1
InChIInChI=1S/C14H15FN2O2S/c1-9(19)16-14-17-12(8-20-14)5-3-10-2-4-11(7-18)13(15)6-10/h2,4,6,8,18H,3,5,7H2,1H3,(H,16,17,19)
InChIKeyIBTNWNCZADMOAC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.52
Rot. Bonds5

About N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide

N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86649988) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID86649988
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCc2ccc(CO)c(F)c2)cs1
InChIInChI=1S/C14H15FN2O2S/c1-9(19)16-14-17-12(8-20-14)5-3-10-2-4-11(7-18)13(15)6-10/h2,4,6,8,18H,3,5,7H2,1H3,(H,16,17,19)
InChIKeyIBTNWNCZADMOAC-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 86649988) is N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CCc2ccc(CO)c(F)c2)cs1.
What is the InChIKey of N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IBTNWNCZADMOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9(19)16-14-17-12(8-20-14)5-3-10-2-4-11(7-18)13(15)6-10/h2,4,6,8,18H,3,5,7H2,1H3,(H,16,17,19).
What are the key properties of N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-fluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86649988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).