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

C12H11FN2OS — CID 54134763

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESCCc1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C12H11FN2OS/c1-2-8-7-14-12(17-8)15-11(16)9-5-3-4-6-10(9)13/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyVLJZSZKMRQRHFI-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.10
Rot. Bonds3

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

N-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide (PubChem CID 54134763) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide
PubChem CID54134763
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESCCc1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C12H11FN2OS/c1-2-8-7-14-12(17-8)15-11(16)9-5-3-4-6-10(9)13/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyVLJZSZKMRQRHFI-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide (CID 54134763) is N-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide is CCc1cnc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The InChIKey is VLJZSZKMRQRHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-2-8-7-14-12(17-8)15-11(16)9-5-3-4-6-10(9)13/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
N-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide has a molecular weight of 250.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 54134763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).