[6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate

C22H23ClN4O4S — CID 175192020

IUPAC[6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate
SMILESNC(=O)Oc1nc2ccc(N(CCN3CCOCC3)C(=O)Cc3ccc(Cl)cc3)cc2s1
InChIInChI=1S/C22H23ClN4O4S/c23-16-3-1-15(2-4-16)13-20(28)27(8-7-26-9-11-30-12-10-26)17-5-6-18-19(14-17)32-22(25-18)31-21(24)29/h1-6,14H,7-13H2,(H2,24,29)
InChIKeyVMFGZRTUOLDXFX-UHFFFAOYSA-N
MW474.97 g/mol
LogP3.32
Rot. Bonds7

About [6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate

[6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate (PubChem CID 175192020) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is [6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate.

Molecular Properties

Compound Name[6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate
PubChem CID175192020
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC Name[6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate
SMILESNC(=O)Oc1nc2ccc(N(CCN3CCOCC3)C(=O)Cc3ccc(Cl)cc3)cc2s1
InChIInChI=1S/C22H23ClN4O4S/c23-16-3-1-15(2-4-16)13-20(28)27(8-7-26-9-11-30-12-10-26)17-5-6-18-19(14-17)32-22(25-18)31-21(24)29/h1-6,14H,7-13H2,(H2,24,29)
InChIKeyVMFGZRTUOLDXFX-UHFFFAOYSA-N
XLogP3.32
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate 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-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29138110
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 121047708
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 18583330
2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 7622597
2-(4-chlorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137821
N-(6-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622683
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 29138202
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997744
N-[6-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 162383185
2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933425
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602556
2-(4-chlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 18583302

Frequently Asked Questions

What is the IUPAC name of [6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate?
The IUPAC name of [6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate (CID 175192020) is [6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate.
What is the SMILES notation for [6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate?
The canonical SMILES for [6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate is NC(=O)Oc1nc2ccc(N(CCN3CCOCC3)C(=O)Cc3ccc(Cl)cc3)cc2s1.
What is the InChIKey of [6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate?
The InChIKey is VMFGZRTUOLDXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c23-16-3-1-15(2-4-16)13-20(28)27(8-7-26-9-11-30-12-10-26)17-5-6-18-19(14-17)32-22(25-18)31-21(24)29/h1-6,14H,7-13H2,(H2,24,29).
What are the key properties of [6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate?
[6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate has a molecular weight of 474.97 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(4-chlorophenyl)acetyl]-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl] carbamate is sourced from PubChem (CID 175192020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).