N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide

C14H13N3O2S — CID 34191800

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCN(C(=O)c1cc(C)no1)c1nc2ccccc2s1
InChIInChI=1S/C14H13N3O2S/c1-3-17(13(18)11-8-9(2)16-19-11)14-15-10-6-4-5-7-12(10)20-14/h4-8H,3H2,1-2H3
InChIKeyDQVPRHRAILSFRG-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.26
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 34191800) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID34191800
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCN(C(=O)c1cc(C)no1)c1nc2ccccc2s1
InChIInChI=1S/C14H13N3O2S/c1-3-17(13(18)11-8-9(2)16-19-11)14-15-10-6-4-5-7-12(10)20-14/h4-8H,3H2,1-2H3
InChIKeyDQVPRHRAILSFRG-UHFFFAOYSA-N
XLogP3.26
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589892
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879600
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879656
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879700
N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 16559957
N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
CID 43022086
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
CID 34189654
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18193246
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 45283913
N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
CID 30797489

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide (CID 34191800) is N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide is CCN(C(=O)c1cc(C)no1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is DQVPRHRAILSFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-3-17(13(18)11-8-9(2)16-19-11)14-15-10-6-4-5-7-12(10)20-14/h4-8H,3H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 34191800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).