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

C14H12FN3O2S — CID 17417564

IUPAC3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C14H12FN3O2S/c1-3-9-12(7(2)20-18-9)13(19)17-14-16-10-5-4-8(15)6-11(10)21-14/h4-6H,3H2,1-2H3,(H,16,17,19)
InChIKeyJMZYSVCBMQRXRW-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.55
Rot. Bonds3

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

3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17417564) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17417564
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C14H12FN3O2S/c1-3-9-12(7(2)20-18-9)13(19)17-14-16-10-5-4-8(15)6-11(10)21-14/h4-6H,3H2,1-2H3,(H,16,17,19)
InChIKeyJMZYSVCBMQRXRW-UHFFFAOYSA-N
XLogP3.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.55
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-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649211
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-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
N-{5-[(dimethylamino)carbonyl]-4-methyl-1,3-thiazol-2-yl}-5-methyl-3-phenylisoxazole-4-carboxamide
CID 1225690
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1080711
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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 17417564) is 3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of 3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JMZYSVCBMQRXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-3-9-12(7(2)20-18-9)13(19)17-14-16-10-5-4-8(15)6-11(10)21-14/h4-6H,3H2,1-2H3,(H,16,17,19).
What are the key properties of 3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17417564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).