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

C21H23N3O2S — CID 40606717

IUPACN-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1
InChIInChI=1S/C21H23N3O2S/c1-14(2)15-3-5-16(6-4-15)20(25)23-21-22-18-8-7-17(13-19(18)27-21)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,25)
InChIKeyNYQDHEFSUFJMEG-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.51
Rot. Bonds4

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

N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide (PubChem CID 40606717) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
PubChem CID40606717
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1
InChIInChI=1S/C21H23N3O2S/c1-14(2)15-3-5-16(6-4-15)20(25)23-21-22-18-8-7-17(13-19(18)27-21)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,25)
InChIKeyNYQDHEFSUFJMEG-UHFFFAOYSA-N
XLogP4.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-ylbenzamide
CID 4275001
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
CID 40604029
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 40613036
4-fluoro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3542044
2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
CID 17244599
methyl 2-[(4-propan-2-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128804
4-ethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4000752
4-tert-butyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235419

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide (CID 40606717) is N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1.
What is the InChIKey of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide?
The InChIKey is NYQDHEFSUFJMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(2)15-3-5-16(6-4-15)20(25)23-21-22-18-8-7-17(13-19(18)27-21)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,25).
What are the key properties of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide?
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide has a molecular weight of 381.50 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 40606717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).