2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide

C13H7ClF6N2O2S — CID 2320175

IUPAC2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccccc1Cl
InChIInChI=1S/C13H7ClF6N2O2S/c14-7-4-2-1-3-6(7)9(23)22-10-21-5-8(25-10)11(24,12(15,16)17)13(18,19)20/h1-5,24H,(H,21,22,23)
InChIKeyCEUNKRMFJLNFJN-UHFFFAOYSA-N
MW404.72 g/mol
LogP4.36
Rot. Bonds3

About 2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide

2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2320175) has the molecular formula C13H7ClF6N2O2S and a molecular weight of 404.72 g/mol. Its IUPAC name is 2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID2320175
Molecular FormulaC13H7ClF6N2O2S
Molecular Weight404.72 g/mol
Exact Mass403.98
IUPAC Name2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccccc1Cl
InChIInChI=1S/C13H7ClF6N2O2S/c14-7-4-2-1-3-6(7)9(23)22-10-21-5-8(25-10)11(24,12(15,16)17)13(18,19)20/h1-5,24H,(H,21,22,23)
InChIKeyCEUNKRMFJLNFJN-UHFFFAOYSA-N
XLogP4.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.72
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide (CID 2320175) is 2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CEUNKRMFJLNFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF6N2O2S/c14-7-4-2-1-3-6(7)9(23)22-10-21-5-8(25-10)11(24,12(15,16)17)13(18,19)20/h1-5,24H,(H,21,22,23).
What are the key properties of 2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide?
2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 404.72 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2320175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).