3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide

C12H11FN2OS — CID 167117396

IUPAC3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide
SMILESCCc1nscc1-c1cc(F)cc(C(N)=O)c1
InChIInChI=1S/C12H11FN2OS/c1-2-11-10(6-17-15-11)7-3-8(12(14)16)5-9(13)4-7/h3-6H,2H2,1H3,(H2,14,16)
InChIKeyYQRGRPZXAJNEPU-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.61
Rot. Bonds3

About 3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide

3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide (PubChem CID 167117396) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide
PubChem CID167117396
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide
SMILESCCc1nscc1-c1cc(F)cc(C(N)=O)c1
InChIInChI=1S/C12H11FN2OS/c1-2-11-10(6-17-15-11)7-3-8(12(14)16)5-9(13)4-7/h3-6H,2H2,1H3,(H2,14,16)
InChIKeyYQRGRPZXAJNEPU-UHFFFAOYSA-N
XLogP2.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide?
The IUPAC name of 3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide (CID 167117396) is 3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide.
What is the SMILES notation for 3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide?
The canonical SMILES for 3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide is CCc1nscc1-c1cc(F)cc(C(N)=O)c1.
What is the InChIKey of 3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide?
The InChIKey is YQRGRPZXAJNEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-2-11-10(6-17-15-11)7-3-8(12(14)16)5-9(13)4-7/h3-6H,2H2,1H3,(H2,14,16).
What are the key properties of 3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide?
3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide has a molecular weight of 250.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide is sourced from PubChem (CID 167117396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).