3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide

C14H12ClFN2O2S — CID 72710837

IUPAC3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(C2(O)CCC2)s1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFN2O2S/c15-9-6-8(2-3-10(9)16)12(19)18-13-17-7-11(21-13)14(20)4-1-5-14/h2-3,6-7,20H,1,4-5H2,(H,17,18,19)
InChIKeyILXVNGJDYBXBLK-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.56
Rot. Bonds3

About 3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide

3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 72710837) has the molecular formula C14H12ClFN2O2S and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide
PubChem CID72710837
Molecular FormulaC14H12ClFN2O2S
Molecular Weight326.78 g/mol
Exact Mass326.03
IUPAC Name3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(C2(O)CCC2)s1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFN2O2S/c15-9-6-8(2-3-10(9)16)12(19)18-13-17-7-11(21-13)14(20)4-1-5-14/h2-3,6-7,20H,1,4-5H2,(H,17,18,19)
InChIKeyILXVNGJDYBXBLK-UHFFFAOYSA-N
XLogP3.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide (CID 72710837) is 3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(C2(O)CCC2)s1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ILXVNGJDYBXBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2S/c15-9-6-8(2-3-10(9)16)12(19)18-13-17-7-11(21-13)14(20)4-1-5-14/h2-3,6-7,20H,1,4-5H2,(H,17,18,19).
What are the key properties of 3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide?
3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 326.78 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 72710837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).