N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

C12H12N2OS — CID 836586

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCc1cccc2sc(NC(=O)C3CC3)nc12
InChIInChI=1S/C12H12N2OS/c1-7-3-2-4-9-10(7)13-12(16-9)14-11(15)8-5-6-8/h2-4,8H,5-6H2,1H3,(H,13,14,15)
InChIKeyAIOKJYZOUZDXPH-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.95
Rot. Bonds2

About N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 836586) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID836586
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCc1cccc2sc(NC(=O)C3CC3)nc12
InChIInChI=1S/C12H12N2OS/c1-7-3-2-4-9-10(7)13-12(16-9)14-11(15)8-5-6-8/h2-4,8H,5-6H2,1H3,(H,13,14,15)
InChIKeyAIOKJYZOUZDXPH-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CID 836586) is N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is Cc1cccc2sc(NC(=O)C3CC3)nc12.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is AIOKJYZOUZDXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-7-3-2-4-9-10(7)13-12(16-9)14-11(15)8-5-6-8/h2-4,8H,5-6H2,1H3,(H,13,14,15).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 836586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).