2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine

C13H17ClN2OS — CID 15817632

IUPAC2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc2nc(Cl)sc2c1
InChIInChI=1S/C13H17ClN2OS/c1-3-16(4-2)7-8-17-10-5-6-11-12(9-10)18-13(14)15-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZMLZRALWAOZDNI-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.67
Rot. Bonds6

About 2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine

2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine (PubChem CID 15817632) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine
PubChem CID15817632
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc2nc(Cl)sc2c1
InChIInChI=1S/C13H17ClN2OS/c1-3-16(4-2)7-8-17-10-5-6-11-12(9-10)18-13(14)15-11/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZMLZRALWAOZDNI-UHFFFAOYSA-N
XLogP3.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
CID 173439217
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride
CID 88751722
tert-butyl N-[2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]ethyl]carbamate
CID 134180800
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N,N-dimethylethanamine
CID 69148258
2-bromo-6-propoxy-1,3-benzothiazole
CID 97033817
3-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
CID 43959443
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol
CID 67622160
4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
CID 43959419
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
tert-butyl N-[5-[(2-chloro-1,3-benzothiazol-6-yl)oxy]pentyl]carbamate
CID 171844114
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-pentoxybenzamide
CID 43959445

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine?
The IUPAC name of 2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine (CID 15817632) is 2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc2nc(Cl)sc2c1.
What is the InChIKey of 2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine?
The InChIKey is ZMLZRALWAOZDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-3-16(4-2)7-8-17-10-5-6-11-12(9-10)18-13(14)15-11/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine?
2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine is sourced from PubChem (CID 15817632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).