N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C20H16N2O2S2 — CID 7615785

IUPACN-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccc2sc(N(Cc3ccccc3)C(=O)c3cccs3)nc2c1
InChIInChI=1S/C20H16N2O2S2/c1-24-15-9-10-17-16(12-15)21-20(26-17)22(13-14-6-3-2-4-7-14)19(23)18-8-5-11-25-18/h2-12H,13H2,1H3
InChIKeyPOKAHWMYOXIJSN-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.21
Rot. Bonds5

About N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 7615785) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID7615785
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC NameN-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccc2sc(N(Cc3ccccc3)C(=O)c3cccs3)nc2c1
InChIInChI=1S/C20H16N2O2S2/c1-24-15-9-10-17-16(12-15)21-20(26-17)22(13-14-6-3-2-4-7-14)19(23)18-8-5-11-25-18/h2-12H,13H2,1H3
InChIKeyPOKAHWMYOXIJSN-UHFFFAOYSA-N
XLogP5.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615801
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41110024
N-benzyl-4-ethylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 18581952
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 71962443
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 7622510
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324457
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-benzyl-2-(4-ethylsulfanylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 41139546
N-(5-methoxy-1,3-benzothiazol-2-yl)-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 40995711
3,5-dimethoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40995717
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 41110211
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 7615785) is N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is COc1ccc2sc(N(Cc3ccccc3)C(=O)c3cccs3)nc2c1.
What is the InChIKey of N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is POKAHWMYOXIJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c1-24-15-9-10-17-16(12-15)21-20(26-17)22(13-14-6-3-2-4-7-14)19(23)18-8-5-11-25-18/h2-12H,13H2,1H3.
What are the key properties of N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7615785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).