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

C19H23Cl2N3OS2 — CID 44925009

IUPAC5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)c1ccc(Cl)s1)c1nc2ccc(C)cc2s1.Cl
InChIInChI=1S/C19H22ClN3OS2.ClH/c1-4-22(5-2)10-11-23(18(24)15-8-9-17(20)25-15)19-21-14-7-6-13(3)12-16(14)26-19;/h6-9,12H,4-5,10-11H2,1-3H3;1H
InChIKeyJUYSNIQJCYEKBS-UHFFFAOYSA-N
MW444.45 g/mol
LogP5.73
Rot. Bonds7

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

5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 44925009) has the molecular formula C19H23Cl2N3OS2 and a molecular weight of 444.45 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID44925009
Molecular FormulaC19H23Cl2N3OS2
Molecular Weight444.45 g/mol
Exact Mass443.07
IUPAC Name5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)c1ccc(Cl)s1)c1nc2ccc(C)cc2s1.Cl
InChIInChI=1S/C19H22ClN3OS2.ClH/c1-4-22(5-2)10-11-23(18(24)15-8-9-17(20)25-15)19-21-14-7-6-13(3)12-16(14)26-19;/h6-9,12H,4-5,10-11H2,1-3H3;1H
InChIKeyJUYSNIQJCYEKBS-UHFFFAOYSA-N
XLogP5.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.45
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7207992
5-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 44925225
5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 41344916
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 44935056
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2,5-dimethylbenzamide
CID 41345224
N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 44927894
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 29070280
4-(diethylamino)-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41344879
N-[2-(diethylamino)ethyl]-2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16896530
5-chloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 18577415
N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide;hydrochloride
CID 44925046
2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44919461

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride (CID 44925009) is 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride is CCN(CC)CCN(C(=O)c1ccc(Cl)s1)c1nc2ccc(C)cc2s1.Cl.
What is the InChIKey of 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is JUYSNIQJCYEKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3OS2.ClH/c1-4-22(5-2)10-11-23(18(24)15-8-9-17(20)25-15)19-21-14-7-6-13(3)12-16(14)26-19;/h6-9,12H,4-5,10-11H2,1-3H3;1H.
What are the key properties of 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride?
5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 444.45 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 44925009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).