N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide

C13H14N2OS — CID 2312355

IUPACN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)C1CC1)n2C
InChIInChI=1S/C13H14N2OS/c1-8-3-6-10-11(7-8)17-13(15(10)2)14-12(16)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3/b14-13-
InChIKeyGGAHELMZYVZGFN-YPKPFQOOSA-N
MW246.33 g/mol
LogP2.39
Rot. Bonds1

About N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide

N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (PubChem CID 2312355) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
PubChem CID2312355
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)C1CC1)n2C
InChIInChI=1S/C13H14N2OS/c1-8-3-6-10-11(7-8)17-13(15(10)2)14-12(16)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3/b14-13-
InChIKeyGGAHELMZYVZGFN-YPKPFQOOSA-N
XLogP2.39
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide (CID 2312355) is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide.
What is the SMILES notation for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The canonical SMILES for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is Cc1ccc2c(c1)s/c(=N\C(=O)C1CC1)n2C.
What is the InChIKey of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
The InChIKey is GGAHELMZYVZGFN-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-3-6-10-11(7-8)17-13(15(10)2)14-12(16)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3/b14-13-.
What are the key properties of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide?
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide has a molecular weight of 246.33 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide is sourced from PubChem (CID 2312355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).