N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C20H22ClN3O2S2 — CID 30515858

IUPACN-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1ccc(Cl)s1)N(CCCN1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C20H22ClN3O2S2/c21-18-7-6-15(27-18)14-19(25)24(9-3-8-23-10-12-26-13-11-23)20-22-16-4-1-2-5-17(16)28-20/h1-2,4-7H,3,8-14H2
InChIKeyVAJGPKWAWVAKCB-UHFFFAOYSA-N
MW436.00 g/mol
LogP4.31
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 30515858) has the molecular formula C20H22ClN3O2S2 and a molecular weight of 436.00 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID30515858
Molecular FormulaC20H22ClN3O2S2
Molecular Weight436.00 g/mol
Exact Mass435.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1ccc(Cl)s1)N(CCCN1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C20H22ClN3O2S2/c21-18-7-6-15(27-18)14-19(25)24(9-3-8-23-10-12-26-13-11-23)20-22-16-4-1-2-5-17(16)28-20/h1-2,4-7H,3,8-14H2
InChIKeyVAJGPKWAWVAKCB-UHFFFAOYSA-N
XLogP4.31
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30515861
N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 41341076
N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide;hydrochloride
CID 44934265
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide;hydrochloride
CID 44934172
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride
CID 44934229
N-(1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934267
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 7622272
N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 16847538
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide
CID 7622294
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 29070280
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 73452225
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 44935056

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 30515858) is N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide is O=C(Cc1ccc(Cl)s1)N(CCCN1CCOCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is VAJGPKWAWVAKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S2/c21-18-7-6-15(27-18)14-19(25)24(9-3-8-23-10-12-26-13-11-23)20-22-16-4-1-2-5-17(16)28-20/h1-2,4-7H,3,8-14H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 436.00 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 30515858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).