N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

C13H14N2OS — CID 7192961

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCc1cc(C)c2sc(NC(=O)C3CC3)nc2c1
InChIInChI=1S/C13H14N2OS/c1-7-5-8(2)11-10(6-7)14-13(17-11)15-12(16)9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyMSNRBTQTBPTJLA-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.26
Rot. Bonds2

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 7192961) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID7192961
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCc1cc(C)c2sc(NC(=O)C3CC3)nc2c1
InChIInChI=1S/C13H14N2OS/c1-7-5-8(2)11-10(6-7)14-13(17-11)15-12(16)9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyMSNRBTQTBPTJLA-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CID 7192961) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is Cc1cc(C)c2sc(NC(=O)C3CC3)nc2c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is MSNRBTQTBPTJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-7-5-8(2)11-10(6-7)14-13(17-11)15-12(16)9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 246.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 7192961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).