N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide

C16H12N2O2S — CID 701070

IUPACN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccco1
InChIInChI=1S/C16H12N2O2S/c19-15(12-6-3-9-20-12)18-16-17-14-11-5-2-1-4-10(11)7-8-13(14)21-16/h1-6,9H,7-8H2,(H,17,18,19)
InChIKeyFKEDHMSGKDAXGN-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.75
Rot. Bonds2

About N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide

N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 701070) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide
PubChem CID701070
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC NameN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccco1
InChIInChI=1S/C16H12N2O2S/c19-15(12-6-3-9-20-12)18-16-17-14-11-5-2-1-4-10(11)7-8-13(14)21-16/h1-6,9H,7-8H2,(H,17,18,19)
InChIKeyFKEDHMSGKDAXGN-UHFFFAOYSA-N
XLogP3.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide
CID 565816
N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
A1/A3 AR antagonist 2
CID 162673862
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 702340
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 733820
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 8893265
N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 739613
Furan-2-carboxylic acid (8-methoxy-4,5-dihydro-naphtho[1,2-d]thiazol-2-yl)-amide
CID 653956
N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 738225
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 738234
Ethyl 2-(furan-2-carboxamido)-4-phenylthiazole-5-carboxylate
CID 747391

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide (CID 701070) is N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccco1.
What is the InChIKey of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is FKEDHMSGKDAXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-15(12-6-3-9-20-12)18-16-17-14-11-5-2-1-4-10(11)7-8-13(14)21-16/h1-6,9H,7-8H2,(H,17,18,19).
What are the key properties of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide?
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 701070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).