2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C11H9FN2OS — CID 3723865

IUPAC2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N\C(=O)c1ccccc1F
InChIInChI=1S/C11H9FN2OS/c1-14-6-7-16-11(14)13-10(15)8-4-2-3-5-9(8)12/h2-7H,1H3/b13-11-
InChIKeySHOUHVRDHLHXQE-QBFSEMIESA-N
MW236.27 g/mol
LogP1.97
Rot. Bonds1

About 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 3723865) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID3723865
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N\C(=O)c1ccccc1F
InChIInChI=1S/C11H9FN2OS/c1-14-6-7-16-11(14)13-10(15)8-4-2-3-5-9(8)12/h2-7H,1H3/b13-11-
InChIKeySHOUHVRDHLHXQE-QBFSEMIESA-N
XLogP1.97
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 3723865) is 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is Cn1ccs/c1=N\C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is SHOUHVRDHLHXQE-QBFSEMIESA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-14-6-7-16-11(14)13-10(15)8-4-2-3-5-9(8)12/h2-7H,1H3/b13-11-.
What are the key properties of 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 236.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 3723865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).