N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

C15H14N2O3S — CID 19213737

IUPACN-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCCOc1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C15H14N2O3S/c1-2-7-19-10-5-6-11-13(9-10)21-15(16-11)17-14(18)12-4-3-8-20-12/h3-6,8-9H,2,7H2,1H3,(H,16,17,18)
InChIKeyYQMLZKZYFGOMTQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.93
Rot. Bonds5

About N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 19213737) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID19213737
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCCOc1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C15H14N2O3S/c1-2-7-19-10-5-6-11-13(9-10)21-15(16-11)17-14(18)12-4-3-8-20-12/h3-6,8-9H,2,7H2,1H3,(H,16,17,18)
InChIKeyYQMLZKZYFGOMTQ-UHFFFAOYSA-N
XLogP3.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 9193366
N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19213740
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 646260
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19213736
N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851453
N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 875146
N-[6-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127421
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 19220346
N-[6-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127420

Frequently Asked Questions

What is the IUPAC name of N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 19213737) is N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is CCCOc1ccc2nc(NC(=O)c3ccco3)sc2c1.
What is the InChIKey of N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is YQMLZKZYFGOMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-7-19-10-5-6-11-13(9-10)21-15(16-11)17-14(18)12-4-3-8-20-12/h3-6,8-9H,2,7H2,1H3,(H,16,17,18).
What are the key properties of N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 19213737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).