N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide

C19H12N2O3S — CID 40959415

IUPACN-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1nc2ccc3ccccc3c2s1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H12N2O3S/c22-18(12-6-8-15-16(9-12)24-10-23-15)21-19-20-14-7-5-11-3-1-2-4-13(11)17(14)25-19/h1-9H,10H2,(H,20,21,22)
InChIKeyBCDNMDDEIBMEAJ-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.43
Rot. Bonds2

About N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide

N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide (PubChem CID 40959415) has the molecular formula C19H12N2O3S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide
PubChem CID40959415
Molecular FormulaC19H12N2O3S
Molecular Weight348.38 g/mol
Exact Mass348.06
IUPAC NameN-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1nc2ccc3ccccc3c2s1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H12N2O3S/c22-18(12-6-8-15-16(9-12)24-10-23-15)21-19-20-14-7-5-11-3-1-2-4-13(11)17(14)25-19/h1-9H,10H2,(H,20,21,22)
InChIKeyBCDNMDDEIBMEAJ-UHFFFAOYSA-N
XLogP4.43
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide
CID 4083468
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 40959861
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 40959608
N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide
CID 7565732
N-(1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 4913591
N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide
CID 171976934
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 45283580
N-[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40832647
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
3-chloro-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 7202716
2-(1,3-benzodioxol-5-ylmethylamino)-N-phenyl-1,3-benzothiazole-6-carboxamide
CID 117093085

Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide (CID 40959415) is N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide is O=C(Nc1nc2ccc3ccccc3c2s1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide?
The InChIKey is BCDNMDDEIBMEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3S/c22-18(12-6-8-15-16(9-12)24-10-23-15)21-19-20-14-7-5-11-3-1-2-4-13(11)17(14)25-19/h1-9H,10H2,(H,20,21,22).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide?
N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 40959415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).