N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide

C17H12ClN3OS2 — CID 16546955

IUPACN-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide
SMILESCCN(C(=O)c1ccc2ncsc2c1)c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C17H12ClN3OS2/c1-2-21(17-20-13-8-11(18)4-6-14(13)24-17)16(22)10-3-5-12-15(7-10)23-9-19-12/h3-9H,2H2,1H3
InChIKeyWPGUPOQIPCQXQI-UHFFFAOYSA-N
MW373.89 g/mol
LogP5.23
Rot. Bonds3

About N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide

N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide (PubChem CID 16546955) has the molecular formula C17H12ClN3OS2 and a molecular weight of 373.89 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide
PubChem CID16546955
Molecular FormulaC17H12ClN3OS2
Molecular Weight373.89 g/mol
Exact Mass373.01
IUPAC NameN-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide
SMILESCCN(C(=O)c1ccc2ncsc2c1)c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C17H12ClN3OS2/c1-2-21(17-20-13-8-11(18)4-6-14(13)24-17)16(22)10-3-5-12-15(7-10)23-9-19-12/h3-9H,2H2,1H3
InChIKeyWPGUPOQIPCQXQI-UHFFFAOYSA-N
XLogP5.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide
CID 18081188
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-6-carboxamide
CID 16799066
N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 16546960
N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 16546945
N,N-diethyl-1,3-benzothiazole-6-carboxamide
CID 60635901
N-[2-(dimethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 7507304
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 40983295
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-6-carboxamide
CID 43959177
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 40983232
3-[1,3-benzothiazole-6-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium
CID 7208586
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
CID 34189654
1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea
CID 70121045

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide (CID 16546955) is N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide is CCN(C(=O)c1ccc2ncsc2c1)c1nc2cc(Cl)ccc2s1.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is WPGUPOQIPCQXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3OS2/c1-2-21(17-20-13-8-11(18)4-6-14(13)24-17)16(22)10-3-5-12-15(7-10)23-9-19-12/h3-9H,2H2,1H3.
What are the key properties of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide?
N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 16546955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).