5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride

C18H21Cl2N3OS2 — CID 18577415

About 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride

5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 18577415) has the molecular formula C18H21Cl2N3OS2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
• PubChem CID: 18577415
• Molecular Formula: C18H21Cl2N3OS2
• Molecular Weight: 430.43 g/mol
• Exact Mass: 429.05
• IUPAC Name: 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
• SMILES: Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc(Cl)s3)sc2cc1C.Cl
• InChI: InChI=1S/C18H20ClN3OS2.ClH/c1-11-9-13-15(10-12(11)2)25-18(20-13)22(8-7-21(3)4)17(23)14-5-6-16(19)24-14;/h5-6,9-10H,7-8H2,1-4H3;1H
• InChIKey: OARUJOMFLJZSDP-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.43
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride?

The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride (CID 18577415) is 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride.

What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride?

The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride is Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc(Cl)s3)sc2cc1C.Cl.

What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride?

The InChIKey is OARUJOMFLJZSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS2.ClH/c1-11-9-13-15(10-12(11)2)25-18(20-13)22(8-7-21(3)4)17(23)14-5-6-16(19)24-14;/h5-6,9-10H,7-8H2,1-4H3;1H.

What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride?

5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 430.43 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 18577415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).