N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride

C14H19Cl2N3OS — CID 119477630

IUPACN-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)c2ccc3ncsc3c2)CC1
InChIInChI=1S/C14H17N3OS.2ClH/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-12-13(7-9)19-8-16-12;;/h1,6-8,10-11H,2-5,15H2,(H,17,18);2*1H
InChIKeyHDRZDQLGOVSIMS-UHFFFAOYSA-N
MW348.30 g/mol
LogP3.14
Rot. Bonds2

About N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride

N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride (PubChem CID 119477630) has the molecular formula C14H19Cl2N3OS and a molecular weight of 348.30 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
PubChem CID119477630
Molecular FormulaC14H19Cl2N3OS
Molecular Weight348.30 g/mol
Exact Mass347.06
IUPAC NameN-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(NC(=O)c2ccc3ncsc3c2)CC1
InChIInChI=1S/C14H17N3OS.2ClH/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-12-13(7-9)19-8-16-12;;/h1,6-8,10-11H,2-5,15H2,(H,17,18);2*1H
InChIKeyHDRZDQLGOVSIMS-UHFFFAOYSA-N
XLogP3.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride 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-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 9453681
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 90634146
N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 16548320
2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid
CID 64813484
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide
CID 103774075
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 126936529
N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide
CID 119616230

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride (CID 119477630) is N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(NC(=O)c2ccc3ncsc3c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride?
The InChIKey is HDRZDQLGOVSIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.2ClH/c15-10-2-4-11(5-3-10)17-14(18)9-1-6-12-13(7-9)19-8-16-12;;/h1,6-8,10-11H,2-5,15H2,(H,17,18);2*1H.
What are the key properties of N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride?
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride has a molecular weight of 348.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride is sourced from PubChem (CID 119477630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).