2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide

C20H23N3OS — CID 170186910

IUPAC2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide
SMILESCCCN(C[C@@H](C)c1cccnc1)C(=O)Cc1cccc2ncsc12
InChIInChI=1S/C20H23N3OS/c1-3-10-23(13-15(2)17-7-5-9-21-12-17)19(24)11-16-6-4-8-18-20(16)25-14-22-18/h4-9,12,14-15H,3,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyOOODVHGSEJMWMC-OAHLLOKOSA-N
MW353.49 g/mol
LogP4.28
Rot. Bonds7

About 2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide

2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide (PubChem CID 170186910) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide
PubChem CID170186910
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide
SMILESCCCN(C[C@@H](C)c1cccnc1)C(=O)Cc1cccc2ncsc12
InChIInChI=1S/C20H23N3OS/c1-3-10-23(13-15(2)17-7-5-9-21-12-17)19(24)11-16-6-4-8-18-20(16)25-14-22-18/h4-9,12,14-15H,3,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyOOODVHGSEJMWMC-OAHLLOKOSA-N
XLogP4.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111
N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide
CID 168923813
N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
CID 110648244
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
1-[(1-methylimidazol-2-yl)methyl]-3-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-1-propylurea
CID 125441423
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-1-pyridin-3-ylpropyl)-1-propylurea
CID 122563927
3-pyridin-3-ylbutanal
CID 12727117
N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 168923951

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide (CID 170186910) is 2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide is CCCN(C[C@@H](C)c1cccnc1)C(=O)Cc1cccc2ncsc12.
What is the InChIKey of 2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide?
The InChIKey is OOODVHGSEJMWMC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-3-10-23(13-15(2)17-7-5-9-21-12-17)19(24)11-16-6-4-8-18-20(16)25-14-22-18/h4-9,12,14-15H,3,10-11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide?
2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide has a molecular weight of 353.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-7-yl)-N-propyl-N-[(2S)-2-pyridin-3-ylpropyl]acetamide is sourced from PubChem (CID 170186910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).