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

C15H15N3O2S — CID 7926865

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3c(C)noc3C)sc2c1
InChIInChI=1S/C15H15N3O2S/c1-7-5-8(2)13-11(6-7)21-15(16-13)17-14(19)12-9(3)18-20-10(12)4/h5-6H,1-4H3,(H,16,17,19)
InChIKeyUASPSSIFNLKCEA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.77
Rot. Bonds2

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 7926865) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID7926865
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3c(C)noc3C)sc2c1
InChIInChI=1S/C15H15N3O2S/c1-7-5-8(2)13-11(6-7)21-15(16-13)17-14(19)12-9(3)18-20-10(12)4/h5-6H,1-4H3,(H,16,17,19)
InChIKeyUASPSSIFNLKCEA-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879750
3,5-dimethyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 2649223
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 29499210
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 17334899
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
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)-5-iodothiophene-3-carboxamide
CID 79693774
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 4857240
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 35591150
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3318366

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 7926865) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1cc(C)c2nc(NC(=O)c3c(C)noc3C)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is UASPSSIFNLKCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-7-5-8(2)13-11(6-7)21-15(16-13)17-14(19)12-9(3)18-20-10(12)4/h5-6H,1-4H3,(H,16,17,19).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 7926865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).