3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide

C20H21N3OS — CID 51966836

IUPAC3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide
SMILESC[C@H](c1ccccn1)N(C(=O)CCc1nc2ccccc2s1)C1CC1
InChIInChI=1S/C20H21N3OS/c1-14(16-6-4-5-13-21-16)23(15-9-10-15)20(24)12-11-19-22-17-7-2-3-8-18(17)25-19/h2-8,13-15H,9-12H2,1H3/t14-/m1/s1
InChIKeyZWNMZXALEMWXMZ-CQSZACIVSA-N
MW351.48 g/mol
LogP4.38
Rot. Bonds6

About 3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide

3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide (PubChem CID 51966836) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide
PubChem CID51966836
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide
SMILESC[C@H](c1ccccn1)N(C(=O)CCc1nc2ccccc2s1)C1CC1
InChIInChI=1S/C20H21N3OS/c1-14(16-6-4-5-13-21-16)23(15-9-10-15)20(24)12-11-19-22-17-7-2-3-8-18(17)25-19/h2-8,13-15H,9-12H2,1H3/t14-/m1/s1
InChIKeyZWNMZXALEMWXMZ-CQSZACIVSA-N
XLogP4.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide
CID 55925045
3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide
CID 78774445
N-cyclopropyl-3-[4-(methylsulfamoyl)phenyl]-N-(1-pyridin-2-ylethyl)propanamide
CID 55919526
N-cyclopropyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 55812679
3-(1,3-benzothiazol-2-yl)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 134004172
3-(1,3-benzothiazol-2-yl)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]propanamide
CID 91761395
3-(1,3-benzothiazol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054516
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 55919915
3-(1,3-benzothiazol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9404918
N-cyclopropyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(1-pyridin-2-ylethyl)butanamide
CID 55921204
3-acetamido-N-cyclopropyl-3-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)propanamide
CID 55921203
3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
CID 9215184

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide (CID 51966836) is 3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide is C[C@H](c1ccccn1)N(C(=O)CCc1nc2ccccc2s1)C1CC1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide?
The InChIKey is ZWNMZXALEMWXMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14(16-6-4-5-13-21-16)23(15-9-10-15)20(24)12-11-19-22-17-7-2-3-8-18(17)25-19/h2-8,13-15H,9-12H2,1H3/t14-/m1/s1.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide?
3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide has a molecular weight of 351.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide is sourced from PubChem (CID 51966836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).