N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C18H14ClN3OS3 — CID 16563221

IUPACN-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1csc(-c2cccs2)n1)c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C18H14ClN3OS3/c1-2-22(18-21-13-8-11(19)5-6-14(13)26-18)16(23)9-12-10-25-17(20-12)15-4-3-7-24-15/h3-8,10H,2,9H2,1H3
InChIKeyJCOZXWHALIFDAQ-UHFFFAOYSA-N
MW419.98 g/mol
LogP5.73
Rot. Bonds5

About N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 16563221) has the molecular formula C18H14ClN3OS3 and a molecular weight of 419.98 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID16563221
Molecular FormulaC18H14ClN3OS3
Molecular Weight419.98 g/mol
Exact Mass419.00
IUPAC NameN-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1csc(-c2cccs2)n1)c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C18H14ClN3OS3/c1-2-22(18-21-13-8-11(19)5-6-14(13)26-18)16(23)9-12-10-25-17(20-12)15-4-3-7-24-15/h3-8,10H,2,9H2,1H3
InChIKeyJCOZXWHALIFDAQ-UHFFFAOYSA-N
XLogP5.73
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.98
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 55594558
N-ethyl-N-(3-hydroxypropyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 115771558
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide
CID 16546955
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide
CID 18081188
N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
CID 43022086
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46511782
N-(1-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 43418004
N-(cyclopropylmethyl)-N-propyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134015302
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 44919587
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505093

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 16563221) is N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is CCN(C(=O)Cc1csc(-c2cccs2)n1)c1nc2cc(Cl)ccc2s1.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is JCOZXWHALIFDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS3/c1-2-22(18-21-13-8-11(19)5-6-14(13)26-18)16(23)9-12-10-25-17(20-12)15-4-3-7-24-15/h3-8,10H,2,9H2,1H3.
What are the key properties of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 419.98 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 16563221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).