2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide

C17H14FN3O2S — CID 75498582

IUPAC2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)c1ccc(O)cc1F
InChIInChI=1S/C17H14FN3O2S/c18-13-9-11(22)4-5-12(13)17(23)20-8-6-16-21-15(10-24-16)14-3-1-2-7-19-14/h1-5,7,9-10,22H,6,8H2,(H,20,23)
InChIKeyRBWSSBLSXIMHQD-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.02
Rot. Bonds5

About 2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide

2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 75498582) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID75498582
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)c1ccc(O)cc1F
InChIInChI=1S/C17H14FN3O2S/c18-13-9-11(22)4-5-12(13)17(23)20-8-6-16-21-15(10-24-16)14-3-1-2-7-19-14/h1-5,7,9-10,22H,6,8H2,(H,20,23)
InChIKeyRBWSSBLSXIMHQD-UHFFFAOYSA-N
XLogP3.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Hydroxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzamide
CID 4794330
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 135957085
[4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 135623529
N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24791294
4-ethoxy-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzamide
CID 7119156
N-benzyl-2-[2-(3-hydroxy-2-pyridinyl)-1,3-thiazol-4-yl]acetamide
CID 135871167
US20230348450, Example 187
CID 162757099
2-Hydroxy-5-(2-pyridin-2-yl-1,3-thiazol-4-yl)benzamide
CID 7529155
N-[(4-hydroxyphenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 53530431
2-(2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42110423
3-fluoro-4-methoxy-N-{[2-(thiophen-2-yl)pyridin-3-yl]methyl}benzamide
CID 91625831
4-(thiazol-2-yloxy)-N-((2-(thiophen-3-yl)pyridin-3-yl)methyl)benzamide
CID 91630256

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide (CID 75498582) is 2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nc(-c2ccccn2)cs1)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is RBWSSBLSXIMHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-13-9-11(22)4-5-12(13)17(23)20-8-6-16-21-15(10-24-16)14-3-1-2-7-19-14/h1-5,7,9-10,22H,6,8H2,(H,20,23).
What are the key properties of 2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 343.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 75498582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).