5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide

C15H12N2O2S — CID 9079985

IUPAC5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C15H12N2O2S/c18-14(16-9-5-6-9)11-7-8-12(19-11)15-17-10-3-1-2-4-13(10)20-15/h1-4,7-9H,5-6H2,(H,16,18)
InChIKeyLXTCKUBDZCVCKS-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.45
Rot. Bonds3

About 5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide (PubChem CID 9079985) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
PubChem CID9079985
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C15H12N2O2S/c18-14(16-9-5-6-9)11-7-8-12(19-11)15-17-10-3-1-2-4-13(10)20-15/h1-4,7-9H,5-6H2,(H,16,18)
InChIKeyLXTCKUBDZCVCKS-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677630
methyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 71886107
5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide
CID 46476694
5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide
CID 56569015
5-(1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084323
N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 119611726
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 7743934
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 4877165
5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 60572100
5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide (CID 9079985) is 5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide is O=C(NC1CC1)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide?
The InChIKey is LXTCKUBDZCVCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14(16-9-5-6-9)11-7-8-12(19-11)15-17-10-3-1-2-4-13(10)20-15/h1-4,7-9H,5-6H2,(H,16,18).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 9079985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).