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

C11H9ClN2OS — CID 673490

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)C1CC1
InChIInChI=1S/C11H9ClN2OS/c12-7-3-4-8-9(5-7)16-11(13-8)14-10(15)6-1-2-6/h3-6H,1-2H2,(H,13,14,15)
InChIKeyKALYNDCGLCYRDR-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.30
Rot. Bonds2

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

N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 673490) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID673490
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)C1CC1
InChIInChI=1S/C11H9ClN2OS/c12-7-3-4-8-9(5-7)16-11(13-8)14-10(15)6-1-2-6/h3-6H,1-2H2,(H,13,14,15)
InChIKeyKALYNDCGLCYRDR-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CID 673490) is N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)C1CC1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is KALYNDCGLCYRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-7-3-4-8-9(5-7)16-11(13-8)14-10(15)6-1-2-6/h3-6H,1-2H2,(H,13,14,15).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 252.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 673490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).