N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide

C18H16ClN3O2S — CID 146405949

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H16ClN3O2S/c19-13-3-6-15-16(11-13)25-18(20-15)21-17(23)12-1-4-14(5-2-12)22-7-9-24-10-8-22/h1-6,11H,7-10H2,(H,20,21,23)
InChIKeyBFNSMWQXBORNPV-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.04
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (PubChem CID 146405949) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
PubChem CID146405949
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H16ClN3O2S/c19-13-3-6-15-16(11-13)25-18(20-15)21-17(23)12-1-4-14(5-2-12)22-7-9-24-10-8-22/h1-6,11H,7-10H2,(H,20,21,23)
InChIKeyBFNSMWQXBORNPV-UHFFFAOYSA-N
XLogP4.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-({6-[(2-hydroxyethyl)amino]pyridin-2-yl}amino)-1,3-benzothiazole-6-carboxamide
CID 9933645
N-(1,3-Benzothiazol-2-YL)-2-chlorobenzamide
CID 587340
AZ-Ghs-38
CID 25260901
N-[6-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 162383196
N-(1,3-Benzothiazol-2-YL)-4-chlorobenzamide
CID 587146
N-(2-chloro-6-methylphenyl)-2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-benzothiazole-6-carboxamide
CID 44320829
N-[6-(piperidin-1-ylcarbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 1160385
[4-(1,3-Benzothiazol-2-yl)piperazino](4-chlorophenyl)methanone
CID 1484935
3-(6-Chloro-1,3-benzothiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 11955172
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 16011635
2-[(1-Methyl-cyclopropanecarbonyl)-amino]-benzothiazole-6-carboxylic acid (2-chloro-6-methyl-phenyl)-amide
CID 22634281
2-[3-(2-Dimethylamino-ethyl)-ureido]-benzothiazole-6-carboxylic acid (2-chloro-6-methyl-phenyl)-amide
CID 22634362

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (CID 146405949) is N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The InChIKey is BFNSMWQXBORNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-13-3-6-15-16(11-13)25-18(20-15)21-17(23)12-1-4-14(5-2-12)22-7-9-24-10-8-22/h1-6,11H,7-10H2,(H,20,21,23).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide has a molecular weight of 373.87 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 146405949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).