N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide

C19H14N2O2S — CID 52533642

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide
SMILESCc1ccccc1N(C(=O)c1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C19H14N2O2S/c1-13-7-2-4-9-15(13)21(18(22)16-10-6-12-23-16)19-20-14-8-3-5-11-17(14)24-19/h2-12H,1H3
InChIKeyFLPSEPTVKZAPHR-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.18
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide (PubChem CID 52533642) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide
PubChem CID52533642
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide
SMILESCc1ccccc1N(C(=O)c1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C19H14N2O2S/c1-13-7-2-4-9-15(13)21(18(22)16-10-6-12-23-16)19-20-14-8-3-5-11-17(14)24-19/h2-12H,1H3
InChIKeyFLPSEPTVKZAPHR-UHFFFAOYSA-N
XLogP5.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-7-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2472979
(E)-N,3-bis(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)prop-2-enamide
CID 55333731
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 55333760
N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 8582567
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(2-chloro-3-methylphenyl)benzamide
CID 2384867
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide
CID 55333571
N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55604825
N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26115916
N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 34252979
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 8001424
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-1-oxo-4H-isochromene-3-carboxamide
CID 55358548
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7615764

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide (CID 52533642) is N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide is Cc1ccccc1N(C(=O)c1ccco1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide?
The InChIKey is FLPSEPTVKZAPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-13-7-2-4-9-15(13)21(18(22)16-10-6-12-23-16)19-20-14-8-3-5-11-17(14)24-19/h2-12H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 52533642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).