4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine

C14H19N3O3S2 — CID 45496623

IUPAC4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
SMILESCS(=O)(=O)c1cccc2sc(NCCN3CCOCC3)nc12
InChIInChI=1S/C14H19N3O3S2/c1-22(18,19)12-4-2-3-11-13(12)16-14(21-11)15-5-6-17-7-9-20-10-8-17/h2-4H,5-10H2,1H3,(H,15,16)
InChIKeyUNBFRONGGQTRQW-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.44
Rot. Bonds5

About 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine

4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine (PubChem CID 45496623) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
PubChem CID45496623
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
SMILESCS(=O)(=O)c1cccc2sc(NCCN3CCOCC3)nc12
InChIInChI=1S/C14H19N3O3S2/c1-22(18,19)12-4-2-3-11-13(12)16-14(21-11)15-5-6-17-7-9-20-10-8-17/h2-4H,5-10H2,1H3,(H,15,16)
InChIKeyUNBFRONGGQTRQW-UHFFFAOYSA-N
XLogP1.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine 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',N'-dimethyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine;hydrochloride
CID 71779017
2-methylsulfonyl-N-(2-morpholin-4-ylethyl)aniline
CID 43388034
2-(benzenesulfonyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 44947127
N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-1,3-benzothiazol-2-amine
CID 155801332
N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 29278141
N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-phenylbenzamide;hydrochloride
CID 44947043
N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 18588587
(E)-3-(2-chlorophenyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 29278125
2,3-dimethoxy-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44947125
3-methoxy-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride
CID 44947116
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 83169171
5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride
CID 45099975

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine (CID 45496623) is 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine is CS(=O)(=O)c1cccc2sc(NCCN3CCOCC3)nc12.
What is the InChIKey of 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is UNBFRONGGQTRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-22(18,19)12-4-2-3-11-13(12)16-14(21-11)15-5-6-17-7-9-20-10-8-17/h2-4H,5-10H2,1H3,(H,15,16).
What are the key properties of 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine?
4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 341.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 45496623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).