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

C21H23N3O2S — CID 67302670

IUPAC3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide
SMILESNC(=O)CCN(CCc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1
InChIInChI=1S/C21H23N3O2S/c22-20(25)12-14-24(16-7-8-16)13-11-15-5-9-17(10-6-15)26-21-23-18-3-1-2-4-19(18)27-21/h1-6,9-10,16H,7-8,11-14H2,(H2,22,25)
InChIKeyTZPGLZBDYGEBNP-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.97
Rot. Bonds9

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

3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide (PubChem CID 67302670) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide.

Molecular Properties

Compound Name3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide
PubChem CID67302670
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide
SMILESNC(=O)CCN(CCc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1
InChIInChI=1S/C21H23N3O2S/c22-20(25)12-14-24(16-7-8-16)13-11-15-5-9-17(10-6-15)26-21-23-18-3-1-2-4-19(18)27-21/h1-6,9-10,16H,7-8,11-14H2,(H2,22,25)
InChIKeyTZPGLZBDYGEBNP-UHFFFAOYSA-N
XLogP3.97
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl-cyclopropylamino]propanamide
CID 69156572
3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-(cyclopropylmethyl)amino]propanamide
CID 69148350
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
3-[(1-acetylpiperidin-4-yl)-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]amino]propanoic acid
CID 67303096
3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-(2-cyclopropylethyl)amino]propan-1-ol
CID 91370123
methyl 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-(2-cyclopropylethyl)amino]-2-methylpropanoate
CID 91500209
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
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
trifluoromethylsulfonyl 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethylamino]cyclohexane-1-carboxylate
CID 87347723

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide?
The IUPAC name of 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide (CID 67302670) is 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide.
What is the SMILES notation for 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide?
The canonical SMILES for 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide is NC(=O)CCN(CCc1ccc(Oc2nc3ccccc3s2)cc1)C1CC1.
What is the InChIKey of 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide?
The InChIKey is TZPGLZBDYGEBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c22-20(25)12-14-24(16-7-8-16)13-11-15-5-9-17(10-6-15)26-21-23-18-3-1-2-4-19(18)27-21/h1-6,9-10,16H,7-8,11-14H2,(H2,22,25).
What are the key properties of 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide?
3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide has a molecular weight of 381.50 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl-cyclopropylamino]propanamide is sourced from PubChem (CID 67302670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).