N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

C20H16N2O2S — CID 7615764

IUPACN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccco3)nc12
InChIInChI=1S/C20H16N2O2S/c1-14-7-5-11-17-18(14)21-20(25-17)22(13-15-8-3-2-4-9-15)19(23)16-10-6-12-24-16/h2-12H,13H2,1H3
InChIKeyYQGBFIZFVLSMRC-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.04
Rot. Bonds4

About N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 7615764) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID7615764
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccco3)nc12
InChIInChI=1S/C20H16N2O2S/c1-14-7-5-11-17-18(14)21-20(25-17)22(13-15-8-3-2-4-9-15)19(23)16-10-6-12-24-16/h2-12H,13H2,1H3
InChIKeyYQGBFIZFVLSMRC-UHFFFAOYSA-N
XLogP5.04
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7615851
N-benzyl-3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109583
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16939244
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41109630
2-[[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 18088502
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 40519434
N-benzyl-3,4,5-triethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41109631
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 8670797
N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848554
N-[3-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 30698934
ethyl 2-[2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
CID 8594640
N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989882

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 7615764) is N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccco3)nc12.
What is the InChIKey of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is YQGBFIZFVLSMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-14-7-5-11-17-18(14)21-20(25-17)22(13-15-8-3-2-4-9-15)19(23)16-10-6-12-24-16/h2-12H,13H2,1H3.
What are the key properties of N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 7615764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).