N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide

C13H15N3OS — CID 119616230

IUPACN-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide
SMILESNCC(NC(=O)c1ccc2ncsc2c1)C1CC1
InChIInChI=1S/C13H15N3OS/c14-6-11(8-1-2-8)16-13(17)9-3-4-10-12(5-9)18-7-15-10/h3-5,7-8,11H,1-2,6,14H2,(H,16,17)
InChIKeyMQENHFPQMGDGDG-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.76
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide

N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 119616230) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID119616230
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide
SMILESNCC(NC(=O)c1ccc2ncsc2c1)C1CC1
InChIInChI=1S/C13H15N3OS/c14-6-11(8-1-2-8)16-13(17)9-3-4-10-12(5-9)18-7-15-10/h3-5,7-8,11H,1-2,6,14H2,(H,16,17)
InChIKeyMQENHFPQMGDGDG-UHFFFAOYSA-N
XLogP1.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
CID 65188732
3-(1,3-benzothiazole-6-carbonylamino)butanoic acid
CID 43360749
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
CID 114024784
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 61245318
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide
CID 103774075
(2R)-5-amino-2-(1,3-benzothiazole-6-carbonylamino)-5-oxopentanoic acid
CID 107829741
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 98289837
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide (CID 119616230) is N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide is NCC(NC(=O)c1ccc2ncsc2c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is MQENHFPQMGDGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-6-11(8-1-2-8)16-13(17)9-3-4-10-12(5-9)18-7-15-10/h3-5,7-8,11H,1-2,6,14H2,(H,16,17).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 119616230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).