N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide

C19H16N2O2S — CID 19241153

IUPACN-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3nc4ccccc4s3)c(C)c2c1
InChIInChI=1S/C19H16N2O2S/c1-3-12-8-9-15-13(10-12)11(2)17(23-15)18(22)21-19-20-14-6-4-5-7-16(14)24-19/h4-10H,3H2,1-2H3,(H,20,21,22)
InChIKeyBYBFLOIIPNAPDS-UHFFFAOYSA-N
MW336.42 g/mol
LogP5.17
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide

N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 19241153) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
PubChem CID19241153
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3nc4ccccc4s3)c(C)c2c1
InChIInChI=1S/C19H16N2O2S/c1-3-12-8-9-15-13(10-12)11(2)17(23-15)18(22)21-19-20-14-6-4-5-7-16(14)24-19/h4-10H,3H2,1-2H3,(H,20,21,22)
InChIKeyBYBFLOIIPNAPDS-UHFFFAOYSA-N
XLogP5.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19241218
5-ethyl-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19241157
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 102534728
6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4975352
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 19241228
3-methyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-1-benzofuran-2-carboxamide
CID 108811464
5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 3385821
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19241145
N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241054
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide (CID 19241153) is N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)Nc3nc4ccccc4s3)c(C)c2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BYBFLOIIPNAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-3-12-8-9-15-13(10-12)11(2)17(23-15)18(22)21-19-20-14-6-4-5-7-16(14)24-19/h4-10H,3H2,1-2H3,(H,20,21,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19241153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).