5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide

C16H15Cl2N3OS2 — CID 7208246

IUPAC5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C16H15Cl2N3OS2/c1-20(2)8-9-21(15(22)12-6-7-13(18)23-12)16-19-14-10(17)4-3-5-11(14)24-16/h3-7H,8-9H2,1-2H3
InChIKeyLKQYEEBBQFRIPM-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.87
Rot. Bonds5

About 5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide

5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 7208246) has the molecular formula C16H15Cl2N3OS2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
PubChem CID7208246
Molecular FormulaC16H15Cl2N3OS2
Molecular Weight400.36 g/mol
Exact Mass399.00
IUPAC Name5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
SMILESCN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2c(Cl)cccc2s1
InChIInChI=1S/C16H15Cl2N3OS2/c1-20(2)8-9-21(15(22)12-6-7-13(18)23-12)16-19-14-10(17)4-3-5-11(14)24-16/h3-7H,8-9H2,1-2H3
InChIKeyLKQYEEBBQFRIPM-UHFFFAOYSA-N
XLogP4.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 18563786
5-chloro-N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 16808791
2,5-dichloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 41343915
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide;hydrochloride
CID 44923991
5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 41055502
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 16808409
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 41343947
5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7207992
3-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 44923933
N-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 74757509
2-[(5-chlorothiophene-2-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511658
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3,4-dimethoxybenzamide
CID 7208241

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide (CID 7208246) is 5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide is CN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2c(Cl)cccc2s1.
What is the InChIKey of 5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is LKQYEEBBQFRIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3OS2/c1-20(2)8-9-21(15(22)12-6-7-13(18)23-12)16-19-14-10(17)4-3-5-11(14)24-16/h3-7H,8-9H2,1-2H3.
What are the key properties of 5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide?
5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7208246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).