2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

C13H14N2OS — CID 3491790

IUPAC2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CC3C)sc2c1
InChIInChI=1S/C13H14N2OS/c1-7-3-4-10-11(5-7)17-13(14-10)15-12(16)9-6-8(9)2/h3-5,8-9H,6H2,1-2H3,(H,14,15,16)
InChIKeyNOOPXDGQDXMTEO-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.20
Rot. Bonds2

About 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide

2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 3491790) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID3491790
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CC3C)sc2c1
InChIInChI=1S/C13H14N2OS/c1-7-3-4-10-11(5-7)17-13(14-10)15-12(16)9-6-8(9)2/h3-5,8-9H,6H2,1-2H3,(H,14,15,16)
InChIKeyNOOPXDGQDXMTEO-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide (CID 3491790) is 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is Cc1ccc2nc(NC(=O)C3CC3C)sc2c1.
What is the InChIKey of 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is NOOPXDGQDXMTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-7-3-4-10-11(5-7)17-13(14-10)15-12(16)9-6-8(9)2/h3-5,8-9H,6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide?
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 246.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 3491790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).