N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide

C13H13ClN2O2S — CID 155513750

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCO)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H13ClN2O2S/c14-9-3-4-10-11(7-9)19-13(15-10)16(5-6-17)12(18)8-1-2-8/h3-4,7-8,17H,1-2,5-6H2
InChIKeyGGNSCQDXLRMKCG-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.68
Rot. Bonds4

About N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide (PubChem CID 155513750) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide
PubChem CID155513750
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(CCO)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H13ClN2O2S/c14-9-3-4-10-11(7-9)19-13(15-10)16(5-6-17)12(18)8-1-2-8/h3-4,7-8,17H,1-2,5-6H2
InChIKeyGGNSCQDXLRMKCG-UHFFFAOYSA-N
XLogP2.68
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea
CID 70121045
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 43961566
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 162380258
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 7512171
2-[(6-chloro-1,3-benzothiazol-2-yl)-(5-chlorothiophene-2-carbonyl)amino]ethyl-dimethylazanium
CID 7208074
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43961896
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylbenzamide
CID 7507632
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43959461
3-[(6-chloro-1,3-benzothiazol-2-yl)-(5-chlorothiophene-2-carbonyl)amino]propyl-dimethylazanium
CID 7512184
N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
CID 44947217
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 16808305
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-2-carboxamide
CID 7208073

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide (CID 155513750) is N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide is O=C(C1CC1)N(CCO)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide?
The InChIKey is GGNSCQDXLRMKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-9-3-4-10-11(7-9)19-13(15-10)16(5-6-17)12(18)8-1-2-8/h3-4,7-8,17H,1-2,5-6H2.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide has a molecular weight of 296.78 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide is sourced from PubChem (CID 155513750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).