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

C17H13N3O2S2 — CID 29499210

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3cc(-c4cccs4)on3)sc2c1
InChIInChI=1S/C17H13N3O2S2/c1-9-6-10(2)15-14(7-9)24-17(18-15)19-16(21)11-8-12(22-20-11)13-4-3-5-23-13/h3-8H,1-2H3,(H,18,19,21)
InChIKeyIDEFFGMWKQEAMY-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.88
Rot. Bonds3

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 29499210) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID29499210
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3cc(-c4cccs4)on3)sc2c1
InChIInChI=1S/C17H13N3O2S2/c1-9-6-10(2)15-14(7-9)24-17(18-15)19-16(21)11-8-12(22-20-11)13-4-3-5-23-13/h3-8H,1-2H3,(H,18,19,21)
InChIKeyIDEFFGMWKQEAMY-UHFFFAOYSA-N
XLogP4.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989210
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879750
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7926865
N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 139582756
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 79693774
5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 60735708
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3318366
3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 1085238
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122302836
2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-iodobenzamide
CID 5218207

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 29499210) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1cc(C)c2nc(NC(=O)c3cc(-c4cccs4)on3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IDEFFGMWKQEAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2/c1-9-6-10(2)15-14(7-9)24-17(18-15)19-16(21)11-8-12(22-20-11)13-4-3-5-23-13/h3-8H,1-2H3,(H,18,19,21).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 29499210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).