N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide

C17H14N2O2S — CID 7534992

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2=NCCS2)oc2c1ccc1ccccc12
InChIInChI=1S/C17H14N2O2S/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)21-14(10)16(20)19-17-18-8-9-22-17/h2-7H,8-9H2,1H3,(H,18,19,20)
InChIKeyPLJWDJPWNIUWHE-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.73
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 7534992) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID7534992
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2=NCCS2)oc2c1ccc1ccccc12
InChIInChI=1S/C17H14N2O2S/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)21-14(10)16(20)19-17-18-8-9-22-17/h2-7H,8-9H2,1H3,(H,18,19,20)
InChIKeyPLJWDJPWNIUWHE-UHFFFAOYSA-N
XLogP3.73
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
CID 30550761
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17451313
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314
N-(2,5-dichlorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7899905
N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7929835
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
CID 86825646
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7920539

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide (CID 7534992) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)NC2=NCCS2)oc2c1ccc1ccccc12.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is PLJWDJPWNIUWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)21-14(10)16(20)19-17-18-8-9-22-17/h2-7H,8-9H2,1H3,(H,18,19,20).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 7534992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).