3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide

C20H21N3O2S — CID 69156572

IUPAC3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide
SMILESNC(=O)CCN(Cc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1
InChIInChI=1S/C20H21N3O2S/c21-19(24)11-12-23(15-7-8-15)13-14-5-9-16(10-6-14)25-20-22-17-3-1-2-4-18(17)26-20/h1-6,9-10,15H,7-8,11-13H2,(H2,21,24)
InChIKeyYVBSXOKWIWAZDQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.93
Rot. Bonds8

About 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide

3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide (PubChem CID 69156572) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide.

Molecular Properties

Compound Name3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide
PubChem CID69156572
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide
SMILESNC(=O)CCN(Cc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1
InChIInChI=1S/C20H21N3O2S/c21-19(24)11-12-23(15-7-8-15)13-14-5-9-16(10-6-14)25-20-22-17-3-1-2-4-18(17)26-20/h1-6,9-10,15H,7-8,11-13H2,(H2,21,24)
InChIKeyYVBSXOKWIWAZDQ-UHFFFAOYSA-N
XLogP3.93
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide
CID 67302670
3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-(cyclopropylmethyl)amino]propanamide
CID 69148350
3-[(1-acetylpiperidin-4-yl)-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]amino]propanoic acid
CID 67303096
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 69147289
4-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]butanoic acid
CID 91542676
3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
CID 43460663
N-[3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propyl]-1,1,1-trifluoromethanesulfonamide
CID 69145566
3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-[1-(1-ethyl-1H-inden-2-yl)piperidin-4-yl]amino]propanoic acid
CID 151292372
N-[(1R,5R)-8-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]-N-methylacetamide
CID 54575364
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
CID 11279222
methyl 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-(2-cyclopropylethyl)amino]-2-methylpropanoate
CID 91500209
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methylacetamide
CID 8770767

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide?
The IUPAC name of 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide (CID 69156572) is 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide.
What is the SMILES notation for 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide?
The canonical SMILES for 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide is NC(=O)CCN(Cc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1.
What is the InChIKey of 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide?
The InChIKey is YVBSXOKWIWAZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c21-19(24)11-12-23(15-7-8-15)13-14-5-9-16(10-6-14)25-20-22-17-3-1-2-4-18(17)26-20/h1-6,9-10,15H,7-8,11-13H2,(H2,21,24).
What are the key properties of 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide?
3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide has a molecular weight of 367.47 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide is sourced from PubChem (CID 69156572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).