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

C17H17N3O3S — CID 95351348

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3ncoc3[C@@H]3CCCO3)sc2c1
InChIInChI=1S/C17H17N3O3S/c1-9-6-10(2)13-12(7-9)24-17(19-13)20-16(21)14-15(23-8-18-14)11-4-3-5-22-11/h6-8,11H,3-5H2,1-2H3,(H,19,20,21)/t11-/m0/s1
InChIKeyGPWRFHNWUOVICB-NSHDSACASA-N
MW343.41 g/mol
LogP4.00
Rot. Bonds3

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 95351348) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID95351348
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3ncoc3[C@@H]3CCCO3)sc2c1
InChIInChI=1S/C17H17N3O3S/c1-9-6-10(2)13-12(7-9)24-17(19-13)20-16(21)14-15(23-8-18-14)11-4-3-5-22-11/h6-8,11H,3-5H2,1-2H3,(H,19,20,21)/t11-/m0/s1
InChIKeyGPWRFHNWUOVICB-NSHDSACASA-N
XLogP4.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 97318846
1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
CID 47193596
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide
CID 124514121
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)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775960
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)-2,2,2-trifluoroacetamide
CID 17334899
5-(oxolan-2-yl)-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide
CID 102561331
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)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7926865

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (CID 95351348) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide is Cc1cc(C)c2nc(NC(=O)c3ncoc3[C@@H]3CCCO3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is GPWRFHNWUOVICB-NSHDSACASA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-9-6-10(2)13-12(7-9)24-17(19-13)20-16(21)14-15(23-8-18-14)11-4-3-5-22-11/h6-8,11H,3-5H2,1-2H3,(H,19,20,21)/t11-/m0/s1.
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 4.00, 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-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95351348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).