2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide

C20H15Cl2N3OS2 — CID 40983272

IUPAC2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
SMILESCCc1ccc2nc(N(Cc3cccnc3)C(=O)c3cc(Cl)sc3Cl)sc2c1
InChIInChI=1S/C20H15Cl2N3OS2/c1-2-12-5-6-15-16(8-12)27-20(24-15)25(11-13-4-3-7-23-10-13)19(26)14-9-17(21)28-18(14)22/h3-10H,2,11H2,1H3
InChIKeyJZCHHXQKUUISHX-UHFFFAOYSA-N
MW448.40 g/mol
LogP6.47
Rot. Bonds5

About 2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide

2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide (PubChem CID 40983272) has the molecular formula C20H15Cl2N3OS2 and a molecular weight of 448.40 g/mol. Its IUPAC name is 2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
PubChem CID40983272
Molecular FormulaC20H15Cl2N3OS2
Molecular Weight448.40 g/mol
Exact Mass447.00
IUPAC Name2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
SMILESCCc1ccc2nc(N(Cc3cccnc3)C(=O)c3cc(Cl)sc3Cl)sc2c1
InChIInChI=1S/C20H15Cl2N3OS2/c1-2-12-5-6-15-16(8-12)27-20(24-15)25(11-13-4-3-7-23-10-13)19(26)14-9-17(21)28-18(14)22/h3-10H,2,11H2,1H3
InChIKeyJZCHHXQKUUISHX-UHFFFAOYSA-N
XLogP6.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.40
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-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

2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 40983291
N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 40694320
N-(6-ethyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40508187
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 40983264
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879656
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 40983295
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide
CID 16849709
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 43965989
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-diphenyl-N-(pyridin-3-ylmethyl)acetamide
CID 43965999
2-(2,5-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41342783
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 162380155
2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40995614

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide (CID 40983272) is 2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide is CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3cc(Cl)sc3Cl)sc2c1.
What is the InChIKey of 2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide?
The InChIKey is JZCHHXQKUUISHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3OS2/c1-2-12-5-6-15-16(8-12)27-20(24-15)25(11-13-4-3-7-23-10-13)19(26)14-9-17(21)28-18(14)22/h3-10H,2,11H2,1H3.
What are the key properties of 2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide?
2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide has a molecular weight of 448.40 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 40983272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).