N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide

C13H14N2OS — CID 60666090

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)C1CC1
InChIInChI=1S/C13H14N2OS/c1-15(13(16)9-6-7-9)8-12-14-10-4-2-3-5-11(10)17-12/h2-5,9H,6-8H2,1H3
InChIKeyZDAIRHVLOCVAOB-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.66
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide

N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide (PubChem CID 60666090) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
PubChem CID60666090
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)C1CC1
InChIInChI=1S/C13H14N2OS/c1-15(13(16)9-6-7-9)8-12-14-10-4-2-3-5-11(10)17-12/h2-5,9H,6-8H2,1H3
InChIKeyZDAIRHVLOCVAOB-UHFFFAOYSA-N
XLogP2.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide
CID 18117670
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
CID 63042696
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 103813341
(3S)-1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 9394280
(2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119835338
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64824365
N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 53498759
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 94097425
N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide
CID 46532413
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 39966577
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide (CID 60666090) is N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide is CN(Cc1nc2ccccc2s1)C(=O)C1CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide?
The InChIKey is ZDAIRHVLOCVAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-15(13(16)9-6-7-9)8-12-14-10-4-2-3-5-11(10)17-12/h2-5,9H,6-8H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide has a molecular weight of 246.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 60666090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).