N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide

C18H20ClN3OS2 — CID 41341076

IUPACN-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCN(C(=O)Cc1ccc(Cl)s1)c1nc2ccccc2s1
InChIInChI=1S/C18H20ClN3OS2/c1-21(2)10-5-11-22(17(23)12-13-8-9-16(19)24-13)18-20-14-6-3-4-7-15(14)25-18/h3-4,6-9H,5,10-12H2,1-2H3
InChIKeyLIRXLFCJNGLFED-UHFFFAOYSA-N
MW393.97 g/mol
LogP4.54
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide

N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 41341076) has the molecular formula C18H20ClN3OS2 and a molecular weight of 393.97 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID41341076
Molecular FormulaC18H20ClN3OS2
Molecular Weight393.97 g/mol
Exact Mass393.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCN(C(=O)Cc1ccc(Cl)s1)c1nc2ccccc2s1
InChIInChI=1S/C18H20ClN3OS2/c1-21(2)10-5-11-22(17(23)12-13-8-9-16(19)24-13)18-20-14-6-3-4-7-15(14)25-18/h3-4,6-9H,5,10-12H2,1-2H3
InChIKeyLIRXLFCJNGLFED-UHFFFAOYSA-N
XLogP4.54
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.97
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44919462
N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30515858
2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 41341198
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 44919475
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 8718657
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 44929489
2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44919493
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide
CID 7577533
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[3-(dimethylamino)propyl]benzamide
CID 7577445
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 41341192
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 44919589
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
CID 7577310

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide (CID 41341076) is N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCN(C(=O)Cc1ccc(Cl)s1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is LIRXLFCJNGLFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS2/c1-21(2)10-5-11-22(17(23)12-13-8-9-16(19)24-13)18-20-14-6-3-4-7-15(14)25-18/h3-4,6-9H,5,10-12H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 393.97 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 41341076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).