2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide

C17H11F2N5O2S — CID 155503501

IUPAC2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide
SMILESNc1nc2cc(C(=O)NCc3noc(-c4c(F)cccc4F)n3)ccc2s1
InChIInChI=1S/C17H11F2N5O2S/c18-9-2-1-3-10(19)14(9)16-23-13(24-26-16)7-21-15(25)8-4-5-12-11(6-8)22-17(20)27-12/h1-6H,7H2,(H2,20,22)(H,21,25)
InChIKeyJMQGYSIDLJWZFH-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.14
Rot. Bonds4

About 2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide

2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide (PubChem CID 155503501) has the molecular formula C17H11F2N5O2S and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide
PubChem CID155503501
Molecular FormulaC17H11F2N5O2S
Molecular Weight387.37 g/mol
Exact Mass387.06
IUPAC Name2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide
SMILESNc1nc2cc(C(=O)NCc3noc(-c4c(F)cccc4F)n3)ccc2s1
InChIInChI=1S/C17H11F2N5O2S/c18-9-2-1-3-10(19)14(9)16-23-13(24-26-16)7-21-15(25)8-4-5-12-11(6-8)22-17(20)27-12/h1-6H,7H2,(H2,20,22)(H,21,25)
InChIKeyJMQGYSIDLJWZFH-UHFFFAOYSA-N
XLogP3.14
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91792992
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72895081
2-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,3-benzothiazole-5-carboxamide
CID 155495836
4-fluoro-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755693
3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51097703
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 122569155
2-amino-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114183521
2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349456
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
2-chloro-N-(furan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 100786923
2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 50755903

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide (CID 155503501) is 2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide is Nc1nc2cc(C(=O)NCc3noc(-c4c(F)cccc4F)n3)ccc2s1.
What is the InChIKey of 2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide?
The InChIKey is JMQGYSIDLJWZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O2S/c18-9-2-1-3-10(19)14(9)16-23-13(24-26-16)7-21-15(25)8-4-5-12-11(6-8)22-17(20)27-12/h1-6H,7H2,(H2,20,22)(H,21,25).
What are the key properties of 2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide?
2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide has a molecular weight of 387.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 155503501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).