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

C18H16ClN3O2S — CID 155519709

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H16ClN3O2S/c19-14-2-1-3-15-16(14)20-18(25-15)21-17(23)12-4-6-13(7-5-12)22-8-10-24-11-9-22/h1-7H,8-11H2,(H,20,21,23)
InChIKeyURLMJMRDTLDHLG-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.04
Rot. Bonds3

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

N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (PubChem CID 155519709) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
PubChem CID155519709
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H16ClN3O2S/c19-14-2-1-3-15-16(14)20-18(25-15)21-17(23)12-4-6-13(7-5-12)22-8-10-24-11-9-22/h1-7H,8-11H2,(H,20,21,23)
InChIKeyURLMJMRDTLDHLG-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-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7565735
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2159214
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
3-(4-chloro-1,3-benzothiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 11955189
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 953877
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (CID 155519709) is N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The InChIKey is URLMJMRDTLDHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-14-2-1-3-15-16(14)20-18(25-15)21-17(23)12-4-6-13(7-5-12)22-8-10-24-11-9-22/h1-7H,8-11H2,(H,20,21,23).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
N-(4-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-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 155519709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).