3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride

C18H26Cl2N4O2S — CID 119833449

IUPAC3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1
InChIInChI=1S/C18H24N4O2S.2ClH/c19-13-3-1-2-12(10-13)17(23)20-14-4-5-15-16(11-14)25-18(21-15)22-6-8-24-9-7-22;;/h4-5,11-13H,1-3,6-10,19H2,(H,20,23);2*1H
InChIKeyWBZVSMUAQQZGLC-UHFFFAOYSA-N
MW433.41 g/mol
LogP3.43
Rot. Bonds3

About 3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119833449) has the molecular formula C18H26Cl2N4O2S and a molecular weight of 433.41 g/mol. Its IUPAC name is 3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119833449
Molecular FormulaC18H26Cl2N4O2S
Molecular Weight433.41 g/mol
Exact Mass432.12
IUPAC Name3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1
InChIInChI=1S/C18H24N4O2S.2ClH/c19-13-3-1-2-12(10-13)17(23)20-14-4-5-15-16(11-14)25-18(21-15)22-6-8-24-9-7-22;;/h4-5,11-13H,1-3,6-10,19H2,(H,20,23);2*1H
InChIKeyWBZVSMUAQQZGLC-UHFFFAOYSA-N
XLogP3.43
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-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-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
CID 95272006
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
1-(2-methylpropanoyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 43066360
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride
CID 119839152
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557962
(2S,5R)-5-(aminomethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 120797130
(2R)-1-methylsulfonyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide
CID 32622162
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 75466716
(1R,2R,4S)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98291832
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 120797488

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride (CID 119833449) is 3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1.
What is the InChIKey of 3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is WBZVSMUAQQZGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.2ClH/c19-13-3-1-2-12(10-13)17(23)20-14-4-5-15-16(11-14)25-18(21-15)22-6-8-24-9-7-22;;/h4-5,11-13H,1-3,6-10,19H2,(H,20,23);2*1H.
What are the key properties of 3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 433.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119833449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).