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

C14H14F2N2O2S — CID 86649996

IUPACN-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCc2ccc(CO)c(F)c2F)cs1
InChIInChI=1S/C14H14F2N2O2S/c1-8(20)17-14-18-11(7-21-14)5-4-9-2-3-10(6-19)13(16)12(9)15/h2-3,7,19H,4-6H2,1H3,(H,17,18,20)
InChIKeyGKDIEAVHTCEAHH-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.66
Rot. Bonds5

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

N-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86649996) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID86649996
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC NameN-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCc2ccc(CO)c(F)c2F)cs1
InChIInChI=1S/C14H14F2N2O2S/c1-8(20)17-14-18-11(7-21-14)5-4-9-2-3-10(6-19)13(16)12(9)15/h2-3,7,19H,4-6H2,1H3,(H,17,18,20)
InChIKeyGKDIEAVHTCEAHH-UHFFFAOYSA-N
XLogP2.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 86649996) is N-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CCc2ccc(CO)c(F)c2F)cs1.
What is the InChIKey of N-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GKDIEAVHTCEAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-8(20)17-14-18-11(7-21-14)5-4-9-2-3-10(6-19)13(16)12(9)15/h2-3,7,19H,4-6H2,1H3,(H,17,18,20).
What are the key properties of N-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 312.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2,3-difluoro-4-(hydroxymethyl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86649996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).