2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone

C15H19N3OS — CID 70087757

IUPAC2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone
SMILESNC1CCC(C(N)C(=O)c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19N3OS/c16-10-7-5-9(6-8-10)13(17)14(19)15-18-11-3-1-2-4-12(11)20-15/h1-4,9-10,13H,5-8,16-17H2
InChIKeyQZBQPJJUWRDAKH-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.32
Rot. Bonds3

About 2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone

2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone (PubChem CID 70087757) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone
PubChem CID70087757
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone
SMILESNC1CCC(C(N)C(=O)c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H19N3OS/c16-10-7-5-9(6-8-10)13(17)14(19)15-18-11-3-1-2-4-12(11)20-15/h1-4,9-10,13H,5-8,16-17H2
InChIKeyQZBQPJJUWRDAKH-UHFFFAOYSA-N
XLogP2.32
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone 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

(4-aminocyclohexyl)-(1,3-benzothiazol-2-yl)methanone
CID 67315824
(2S)-2-amino-1-(1,3-benzothiazol-2-yl)-3-methylbutan-1-one
CID 10331599
2-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine
CID 46937165
4-N-(1,3-benzothiazol-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79116231
(2S)-N-[(1R)-1-(4-aminocyclohexyl)-2-(1,3-benzothiazol-2-yl)-2-oxoethyl]-1-[(2R)-2-(ethylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646614
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
1,3-benzothiazol-2-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105796
actinium;N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-azanidacyclobutane-2-carboxamide
CID 22888603
2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 67452528
sulfanyl 1,3-benzothiazole-2-carboxylate
CID 87987373
1-(1,3-benzothiazol-2-yl)-3-hydroxyprop-2-en-1-one
CID 51508743
1,3-benzothiazole-2-carbonyl(methanidyl)azanium
CID 59280493

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone?
The IUPAC name of 2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone (CID 70087757) is 2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone.
What is the SMILES notation for 2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone?
The canonical SMILES for 2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone is NC1CCC(C(N)C(=O)c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone?
The InChIKey is QZBQPJJUWRDAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c16-10-7-5-9(6-8-10)13(17)14(19)15-18-11-3-1-2-4-12(11)20-15/h1-4,9-10,13H,5-8,16-17H2.
What are the key properties of 2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone?
2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone has a molecular weight of 289.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-aminocyclohexyl)-1-(1,3-benzothiazol-2-yl)ethanone is sourced from PubChem (CID 70087757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).