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

C14H12N2O2S — CID 4800129

IUPAC5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)o1
InChIInChI=1S/C14H12N2O2S/c1-8-3-6-12(18-8)14(17)16-10-4-5-11-13(7-10)19-9(2)15-11/h3-7H,1-2H3,(H,16,17)
InChIKeyDSAYHCWKXKIFIU-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.76
Rot. Bonds2

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

5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide (PubChem CID 4800129) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
PubChem CID4800129
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)o1
InChIInChI=1S/C14H12N2O2S/c1-8-3-6-12(18-8)14(17)16-10-4-5-11-13(7-10)19-9(2)15-11/h3-7H,1-2H3,(H,16,17)
InChIKeyDSAYHCWKXKIFIU-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

5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide
CID 112525636
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 61042126
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 110443255
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 30152613
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046668

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide (CID 4800129) is 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide is Cc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)o1.
What is the InChIKey of 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The InChIKey is DSAYHCWKXKIFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-3-6-12(18-8)14(17)16-10-4-5-11-13(7-10)19-9(2)15-11/h3-7H,1-2H3,(H,16,17).
What are the key properties of 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
5-methyl-N-(2-methyl-1,3-benzothiazol-6-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-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide is sourced from PubChem (CID 4800129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).