N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

C12H8FN3O2S — CID 16953753

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(F)cccc3s2)no1
InChIInChI=1S/C12H8FN3O2S/c1-6-5-8(16-18-6)11(17)15-12-14-10-7(13)3-2-4-9(10)19-12/h2-5H,1H3,(H,14,15,17)
InChIKeyDDCADGPQNYTIBA-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.98
Rot. Bonds2

About N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 16953753) has the molecular formula C12H8FN3O2S and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID16953753
Molecular FormulaC12H8FN3O2S
Molecular Weight277.28 g/mol
Exact Mass277.03
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(F)cccc3s2)no1
InChIInChI=1S/C12H8FN3O2S/c1-6-5-8(16-18-6)11(17)15-12-14-10-7(13)3-2-4-9(10)19-12/h2-5H,1H3,(H,14,15,17)
InChIKeyDDCADGPQNYTIBA-UHFFFAOYSA-N
XLogP2.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 16953753) is N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(F)cccc3s2)no1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is DDCADGPQNYTIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O2S/c1-6-5-8(16-18-6)11(17)15-12-14-10-7(13)3-2-4-9(10)19-12/h2-5H,1H3,(H,14,15,17).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16953753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).