N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride

C22H22Cl2N4O2S2 — CID 44929342

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride
SMILESCc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)c3nc4ccccc4s3)nc12.Cl
InChIInChI=1S/C22H21ClN4O2S2.ClH/c1-14-12-15(23)13-18-19(14)25-22(31-18)27(7-6-26-8-10-29-11-9-26)21(28)20-24-16-4-2-3-5-17(16)30-20;/h2-5,12-13H,6-11H2,1H3;1H
InChIKeyXRVJFQSWHKOYRV-UHFFFAOYSA-N
MW509.48 g/mol
LogP5.27
Rot. Bonds5

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride (PubChem CID 44929342) has the molecular formula C22H22Cl2N4O2S2 and a molecular weight of 509.48 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride
PubChem CID44929342
Molecular FormulaC22H22Cl2N4O2S2
Molecular Weight509.48 g/mol
Exact Mass508.06
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride
SMILESCc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)c3nc4ccccc4s3)nc12.Cl
InChIInChI=1S/C22H21ClN4O2S2.ClH/c1-14-12-15(23)13-18-19(14)25-22(31-18)27(7-6-26-8-10-29-11-9-26)21(28)20-24-16-4-2-3-5-17(16)30-20;/h2-5,12-13H,6-11H2,1H3;1H
InChIKeyXRVJFQSWHKOYRV-UHFFFAOYSA-N
XLogP5.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride 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-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 29138774
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 18583351
3-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29159393
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29159631
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44903419
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43963380
3-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44932557
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29159639
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-propan-2-ylsulfanylbenzamide
CID 43963282
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44929387
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 29159504
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 44903424

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride (CID 44929342) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride is Cc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)c3nc4ccccc4s3)nc12.Cl.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride?
The InChIKey is XRVJFQSWHKOYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2S2.ClH/c1-14-12-15(23)13-18-19(14)25-22(31-18)27(7-6-26-8-10-29-11-9-26)21(28)20-24-16-4-2-3-5-17(16)30-20;/h2-5,12-13H,6-11H2,1H3;1H.
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride has a molecular weight of 509.48 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 44929342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).