N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide

C15H19N3OS — CID 90606084

IUPACN-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCc1ccc(C)c2sc(N(C)CC(=O)NC3CC3)nc12
InChIInChI=1S/C15H19N3OS/c1-9-4-5-10(2)14-13(9)17-15(20-14)18(3)8-12(19)16-11-6-7-11/h4-5,11H,6-8H2,1-3H3,(H,16,19)
InChIKeyOPXQWVUEJVOGLV-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.63
Rot. Bonds4

About N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide

N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide (PubChem CID 90606084) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
PubChem CID90606084
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCc1ccc(C)c2sc(N(C)CC(=O)NC3CC3)nc12
InChIInChI=1S/C15H19N3OS/c1-9-4-5-10(2)14-13(9)17-15(20-14)18(3)8-12(19)16-11-6-7-11/h4-5,11H,6-8H2,1-3H3,(H,16,19)
InChIKeyOPXQWVUEJVOGLV-UHFFFAOYSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide 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

2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 90605980
N-cyclopropyl-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]acetamide
CID 35417651
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide
CID 64622647
2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 90606078
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 63728145
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide
CID 62122234
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239
N-cyclopropyl-2-(4-formyl-N,3-dimethylanilino)acetamide
CID 62135938
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
CID 112698989

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide (CID 90606084) is N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide is Cc1ccc(C)c2sc(N(C)CC(=O)NC3CC3)nc12.
What is the InChIKey of N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The InChIKey is OPXQWVUEJVOGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-4-5-10(2)14-13(9)17-15(20-14)18(3)8-12(19)16-11-6-7-11/h4-5,11H,6-8H2,1-3H3,(H,16,19).
What are the key properties of N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide is sourced from PubChem (CID 90606084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).