N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

C14H12N2O2S — CID 2159294

IUPACN-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(C)c2sc(NC(=O)c3ccco3)nc12
InChIInChI=1S/C14H12N2O2S/c1-8-5-6-9(2)12-11(8)15-14(19-12)16-13(17)10-4-3-7-18-10/h3-7H,1-2H3,(H,15,16,17)
InChIKeyRDGIKAAIZCUCGR-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.76
Rot. Bonds2

About N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 2159294) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID2159294
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(C)c2sc(NC(=O)c3ccco3)nc12
InChIInChI=1S/C14H12N2O2S/c1-8-5-6-9(2)12-11(8)15-14(19-12)16-13(17)10-4-3-7-18-10/h3-7H,1-2H3,(H,15,16,17)
InChIKeyRDGIKAAIZCUCGR-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 774248
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7590058
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 43548233
methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192912
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 43989134
2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226434
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100933
methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 82342602
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 9185268
N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 71300260

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 2159294) is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1ccc(C)c2sc(NC(=O)c3ccco3)nc12.
What is the InChIKey of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is RDGIKAAIZCUCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-5-6-9(2)12-11(8)15-14(19-12)16-13(17)10-4-3-7-18-10/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2159294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).