1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide

C17H15N5O2S — CID 118980455

IUPAC1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
SMILESCc1oncc1-c1ccc2nc(NC(=O)C3CCN(C#N)C3)sc2c1
InChIInChI=1S/C17H15N5O2S/c1-10-13(7-19-24-10)11-2-3-14-15(6-11)25-17(20-14)21-16(23)12-4-5-22(8-12)9-18/h2-3,6-7,12H,4-5,8H2,1H3,(H,20,21,23)
InChIKeyGNHDVKIHLVCNGO-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.00
Rot. Bonds3

About 1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide

1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 118980455) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID118980455
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
SMILESCc1oncc1-c1ccc2nc(NC(=O)C3CCN(C#N)C3)sc2c1
InChIInChI=1S/C17H15N5O2S/c1-10-13(7-19-24-10)11-2-3-14-15(6-11)25-17(20-14)21-16(23)12-4-5-22(8-12)9-18/h2-3,6-7,12H,4-5,8H2,1H3,(H,20,21,23)
InChIKeyGNHDVKIHLVCNGO-UHFFFAOYSA-N
XLogP3.00
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-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

1-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981004
(3S)-1-cyano-N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide;(3S)-1-cyano-N-[6-(4-methoxyphenyl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
CID 162070305
1-cyano-N-[7-methyl-6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980962
1-cyano-N-[5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980994
(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
(3S)-1-cyano-N-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980931
1-cyano-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981045
1-cyano-N-[5-(3-cyanophenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980961
cis-(1S,2S)-N-[6-(5-cyano-2-methylphenyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 138504677
N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19582082
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767396
N-[6-(3,5-dimethylphenyl)-1,3-benzothiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 174431024

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide (CID 118980455) is 1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide is Cc1oncc1-c1ccc2nc(NC(=O)C3CCN(C#N)C3)sc2c1.
What is the InChIKey of 1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is GNHDVKIHLVCNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-10-13(7-19-24-10)11-2-3-14-15(6-11)25-17(20-14)21-16(23)12-4-5-22(8-12)9-18/h2-3,6-7,12H,4-5,8H2,1H3,(H,20,21,23).
What are the key properties of 1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide?
1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[6-(5-methyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 118980455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).