4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide

C19H17FN2O2S — CID 4548297

IUPAC4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2O2S/c1-2-11-24-16-9-5-13(6-10-16)17-12-25-19(21-17)22-18(23)14-3-7-15(20)8-4-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChIKeyPVRCQRCMQXIQBT-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.99
Rot. Bonds6

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

4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4548297) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4548297
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H17FN2O2S/c1-2-11-24-16-9-5-13(6-10-16)17-12-25-19(21-17)22-18(23)14-3-7-15(20)8-4-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChIKeyPVRCQRCMQXIQBT-UHFFFAOYSA-N
XLogP4.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 4548297) is 4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCCOc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is PVRCQRCMQXIQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-2-11-24-16-9-5-13(6-10-16)17-12-25-19(21-17)22-18(23)14-3-7-15(20)8-4-14/h3-10,12H,2,11H2,1H3,(H,21,22,23).
What are the key properties of 4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4548297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).