N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C20H16N2O2S2 — CID 7615801

IUPACN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccs3)sc2c1
InChIInChI=1S/C20H16N2O2S2/c1-24-15-9-10-16-18(12-15)26-20(21-16)22(13-14-6-3-2-4-7-14)19(23)17-8-5-11-25-17/h2-12H,13H2,1H3
InChIKeyYGIINBAXMJWRMP-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.21
Rot. Bonds5

About N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 7615801) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID7615801
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC NameN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccs3)sc2c1
InChIInChI=1S/C20H16N2O2S2/c1-24-15-9-10-16-18(12-15)26-20(21-16)22(13-14-6-3-2-4-7-14)19(23)17-8-5-11-25-17/h2-12H,13H2,1H3
InChIKeyYGIINBAXMJWRMP-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-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615785
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
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)butanamide
CID 7615805
N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110197
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110246
N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 134016037
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110261
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 41110198
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 41110232
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340207

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 7615801) is N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is COc1ccc2nc(N(Cc3ccccc3)C(=O)c3cccs3)sc2c1.
What is the InChIKey of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is YGIINBAXMJWRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c1-24-15-9-10-16-18(12-15)26-20(21-16)22(13-14-6-3-2-4-7-14)19(23)17-8-5-11-25-17/h2-12H,13H2,1H3.
What are the key properties of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-benzyl-N-(6-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-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7615801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).