N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide

C13H14N2O2S — CID 57307039

IUPACN-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1nc2ccc(O)cc2s1)C1CC1
InChIInChI=1S/C13H14N2O2S/c16-9-3-4-10-11(7-9)18-12(15-10)5-6-14-13(17)8-1-2-8/h3-4,7-8,16H,1-2,5-6H2,(H,14,17)
InChIKeyLMZUVOCMNMGQQI-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.07
Rot. Bonds4

About N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide

N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide (PubChem CID 57307039) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide
PubChem CID57307039
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1nc2ccc(O)cc2s1)C1CC1
InChIInChI=1S/C13H14N2O2S/c16-9-3-4-10-11(7-9)18-12(15-10)5-6-14-13(17)8-1-2-8/h3-4,7-8,16H,1-2,5-6H2,(H,14,17)
InChIKeyLMZUVOCMNMGQQI-UHFFFAOYSA-N
XLogP2.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
CID 51207996
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57243108
3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57009467
3-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692173
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 57207970
3-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119698351
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 46789652
2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581
(3S,5R)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133115531
(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate
CID 135336697
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 71983741

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide (CID 57307039) is N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide is O=C(NCCc1nc2ccc(O)cc2s1)C1CC1.
What is the InChIKey of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is LMZUVOCMNMGQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-9-3-4-10-11(7-9)18-12(15-10)5-6-14-13(17)8-1-2-8/h3-4,7-8,16H,1-2,5-6H2,(H,14,17).
What are the key properties of N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide?
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 57307039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).