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

C18H17N3O2S — CID 146405947

IUPACN-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H17N3O2S/c22-17(20-18-19-15-3-1-2-4-16(15)24-18)13-5-7-14(8-6-13)21-9-11-23-12-10-21/h1-8H,9-12H2,(H,19,20,22)
InChIKeyYTNAZCKAAQNIES-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.39
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (PubChem CID 146405947) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
PubChem CID146405947
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H17N3O2S/c22-17(20-18-19-15-3-1-2-4-16(15)24-18)13-5-7-14(8-6-13)21-9-11-23-12-10-21/h1-8H,9-12H2,(H,19,20,22)
InChIKeyYTNAZCKAAQNIES-UHFFFAOYSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
N-(4-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 155519709
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1248679
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
CID 40604029
N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
CID 31533716
4-fluoro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3542044
N-(1,3-benzothiazol-2-yl)-4-(bromomethyl)benzamide
CID 102850815
N-(1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8882679
N-(1,3-benzothiazol-2-yl)morpholine-4-carboxamide;thiocyanic acid
CID 172824956

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (CID 146405947) is N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is O=C(Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The InChIKey is YTNAZCKAAQNIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(20-18-19-15-3-1-2-4-16(15)24-18)13-5-7-14(8-6-13)21-9-11-23-12-10-21/h1-8H,9-12H2,(H,19,20,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide has a molecular weight of 339.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 146405947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).