N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide

C18H17ClN2O3S — CID 18081188

IUPACN-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)c(OC)c1)c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C18H17ClN2O3S/c1-4-21(18-20-13-10-12(19)6-8-16(13)25-18)17(22)11-5-7-14(23-2)15(9-11)24-3/h5-10H,4H2,1-3H3
InChIKeyHYEGZFQONNOWGE-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.63
Rot. Bonds5

About N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide

N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide (PubChem CID 18081188) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide
PubChem CID18081188
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)c(OC)c1)c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C18H17ClN2O3S/c1-4-21(18-20-13-10-12(19)6-8-16(13)25-18)17(22)11-5-7-14(23-2)15(9-11)24-3/h5-10H,4H2,1-3H3
InChIKeyHYEGZFQONNOWGE-UHFFFAOYSA-N
XLogP4.63
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-benzothiazole-6-carboxamide
CID 16546955
2-[(6-chloro-1,3-benzothiazol-2-yl)-(3,4-dimethoxybenzoyl)amino]ethyl-dimethylazanium
CID 7507623
N-[2-(diethylamino)ethyl]-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7511175
N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 16546945
4-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43964021
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3,4-dimethoxybenzamide;hydrochloride
CID 44925557
2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41346063
N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 16546960
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 26115691
N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 41345005
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methoxybenzamide
CID 7511395
N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide
CID 16559996

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide (CID 18081188) is N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide is CCN(C(=O)c1ccc(OC)c(OC)c1)c1nc2cc(Cl)ccc2s1.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide?
The InChIKey is HYEGZFQONNOWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-4-21(18-20-13-10-12(19)6-8-16(13)25-18)17(22)11-5-7-14(23-2)15(9-11)24-3/h5-10H,4H2,1-3H3.
What are the key properties of N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide?
N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide has a molecular weight of 376.87 g/mol, XLogP of 4.63, 5 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-3,4-dimethoxybenzamide is sourced from PubChem (CID 18081188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).