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N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide

C14H15N3O3S — CID 167772342

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide
SMILESCc1coc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)n1
InChIInChI=1S/C14H15N3O3S/c1-7-6-20-12(15-7)11(19)17-13-16-8-4-14(2,3)5-9(18)10(8)21-13/h6H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyPWVQYBOVERBFLU-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.85
Rot. Bonds2

About N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide (PubChem CID 167772342) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide
PubChem CID167772342
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide
SMILESCc1coc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)n1
InChIInChI=1S/C14H15N3O3S/c1-7-6-20-12(15-7)11(19)17-13-16-8-4-14(2,3)5-9(18)10(8)21-13/h6H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyPWVQYBOVERBFLU-UHFFFAOYSA-N
XLogP2.85
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide (CID 167772342) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide is Cc1coc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)n1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is PWVQYBOVERBFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-7-6-20-12(15-7)11(19)17-13-16-8-4-14(2,3)5-9(18)10(8)21-13/h6H,4-5H2,1-3H3,(H,16,17,19).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 167772342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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