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

C14H12N2O2S — CID 887647

IUPAC5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(C)o3)sc2c1
InChIInChI=1S/C14H12N2O2S/c1-8-3-5-10-12(7-8)19-14(15-10)16-13(17)11-6-4-9(2)18-11/h3-7H,1-2H3,(H,15,16,17)
InChIKeySAELKSHDDVQJFR-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.76
Rot. Bonds2

About 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 887647) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID887647
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(C)o3)sc2c1
InChIInChI=1S/C14H12N2O2S/c1-8-3-5-10-12(7-8)19-14(15-10)16-13(17)11-6-4-9(2)18-11/h3-7H,1-2H3,(H,15,16,17)
InChIKeySAELKSHDDVQJFR-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

(E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2701436
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415531
6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4975352
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 5182181
[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid
CID 23933114
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 887647) is 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1ccc2nc(NC(=O)c3ccc(C)o3)sc2c1.
What is the InChIKey of 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is SAELKSHDDVQJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-3-5-10-12(7-8)19-14(15-10)16-13(17)11-6-4-9(2)18-11/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
5-methyl-N-(6-methyl-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 5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 887647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).