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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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).