N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C13H10FN3O2S — CID 2649211

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C13H10FN3O2S/c1-6-11(7(2)19-17-6)12(18)16-13-15-9-4-3-8(14)5-10(9)20-13/h3-5H,1-2H3,(H,15,16,18)
InChIKeyGYHOSFRROSLPFA-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.29
Rot. Bonds2

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2649211) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2649211
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C13H10FN3O2S/c1-6-11(7(2)19-17-6)12(18)16-13-15-9-4-3-8(14)5-10(9)20-13/h3-5H,1-2H3,(H,15,16,18)
InChIKeyGYHOSFRROSLPFA-UHFFFAOYSA-N
XLogP3.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 2814505
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1164446
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649132
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649216
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7948233
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 16276235
3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 17417564
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2089563
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2114663
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2115176
N-(4,6-dimethylbenzo[d]thiazol-2-yl)-5-methylisoxazole-3-carboxamide
CID 2555125

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2649211) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is GYHOSFRROSLPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c1-6-11(7(2)19-17-6)12(18)16-13-15-9-4-3-8(14)5-10(9)20-13/h3-5H,1-2H3,(H,15,16,18).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2649211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).