N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

C20H17N3O2S2 — CID 7163155

IUPACN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCOc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3cccs3)nc12
InChIInChI=1S/C20H17N3O2S2/c1-13-7-8-15(25-2)17-18(13)27-20(22-17)23(12-14-5-3-9-21-11-14)19(24)16-6-4-10-26-16/h3-11H,12H2,1-2H3
InChIKeyMFFJDTSIYYTCQF-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.92
Rot. Bonds5

About N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 7163155) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
PubChem CID7163155
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC NameN-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
SMILESCOc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3cccs3)nc12
InChIInChI=1S/C20H17N3O2S2/c1-13-7-8-15(25-2)17-18(13)27-20(22-17)23(12-14-5-3-9-21-11-14)19(24)16-6-4-10-26-16/h3-11H,12H2,1-2H3
InChIKeyMFFJDTSIYYTCQF-UHFFFAOYSA-N
XLogP4.92
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-5-methoxy-7-2-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 56592940
N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)isonicotinamide
CID 56592910
N-(4-ethoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032335
4-cyano-N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40481904
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473
N-(6-methoxybenzo[d]thiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 16032494
N-(6-ethoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 16032500
N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 2664381
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7172926
N-(6-methoxybenzo[d]thiazol-2-yl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 16032475
4-acetyl-N-(4,7-dimethoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 16032510
2,3-dimethoxy-N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 16032549

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide (CID 7163155) is N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3cccs3)nc12.
What is the InChIKey of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is MFFJDTSIYYTCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-13-7-8-15(25-2)17-18(13)27-20(22-17)23(12-14-5-3-9-21-11-14)19(24)16-6-4-10-26-16/h3-11H,12H2,1-2H3.
What are the key properties of N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide?
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 7163155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).