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

C21H23N3O3S — CID 40604029

IUPACN-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c1
InChIInChI=1S/C21H23N3O3S/c1-14(2)27-17-5-3-4-15(12-17)20(25)23-21-22-18-7-6-16(13-19(18)28-21)24-8-10-26-11-9-24/h3-7,12-14H,8-11H2,1-2H3,(H,22,23,25)
InChIKeyWHEHMKDFTWSMDS-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.17
Rot. Bonds5

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

N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide (PubChem CID 40604029) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
PubChem CID40604029
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c1
InChIInChI=1S/C21H23N3O3S/c1-14(2)27-17-5-3-4-15(12-17)20(25)23-21-22-18-7-6-16(13-19(18)28-21)24-8-10-26-11-9-24/h3-7,12-14H,8-11H2,1-2H3,(H,22,23,25)
InChIKeyWHEHMKDFTWSMDS-UHFFFAOYSA-N
XLogP4.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128823
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-ylbenzamide
CID 4275001
2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
CID 17244599
3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740861
2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 40613036
4-ethoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4000752
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide (CID 40604029) is N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c1.
What is the InChIKey of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide?
The InChIKey is WHEHMKDFTWSMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14(2)27-17-5-3-4-15(12-17)20(25)23-21-22-18-7-6-16(13-19(18)28-21)24-8-10-26-11-9-24/h3-7,12-14H,8-11H2,1-2H3,(H,22,23,25).
What are the key properties of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide?
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide has a molecular weight of 397.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 40604029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).