N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide

C14H14N2O2S — CID 46352480

IUPACN-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide
SMILESC=CCn1c(=O)sc2cc(NC(=O)C3CC3)ccc21
InChIInChI=1S/C14H14N2O2S/c1-2-7-16-11-6-5-10(8-12(11)19-14(16)18)15-13(17)9-3-4-9/h2,5-6,8-9H,1,3-4,7H2,(H,15,17)
InChIKeyKPFLNFSPLAVZDP-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.60
Rot. Bonds4

About N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide

N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide (PubChem CID 46352480) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide
PubChem CID46352480
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide
SMILESC=CCn1c(=O)sc2cc(NC(=O)C3CC3)ccc21
InChIInChI=1S/C14H14N2O2S/c1-2-7-16-11-6-5-10(8-12(11)19-14(16)18)15-13(17)9-3-4-9/h2,5-6,8-9H,1,3-4,7H2,(H,15,17)
InChIKeyKPFLNFSPLAVZDP-UHFFFAOYSA-N
XLogP2.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 100545043
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 4997663
(3R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 100547140
2-cyclopentyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43942546
4-chloro-N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50800229
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 3404226
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 4295262
1-[(2-chlorophenyl)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100557518
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 100533092
N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106366
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
CID 4304014
2,4-difluoro-N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50800397

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide (CID 46352480) is N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide is C=CCn1c(=O)sc2cc(NC(=O)C3CC3)ccc21.
What is the InChIKey of N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide?
The InChIKey is KPFLNFSPLAVZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-7-16-11-6-5-10(8-12(11)19-14(16)18)15-13(17)9-3-4-9/h2,5-6,8-9H,1,3-4,7H2,(H,15,17).
What are the key properties of N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide?
N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide is sourced from PubChem (CID 46352480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).