2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide

C20H21N3OS2 — CID 55925045

IUPAC2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(c1ccccn1)N(C(=O)CSCc1nc2ccccc2s1)C1CC1
InChIInChI=1S/C20H21N3OS2/c1-14(16-6-4-5-11-21-16)23(15-9-10-15)20(24)13-25-12-19-22-17-7-2-3-8-18(17)26-19/h2-8,11,14-15H,9-10,12-13H2,1H3
InChIKeyJYHTVHXSWHHYSX-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.68
Rot. Bonds7

About 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide (PubChem CID 55925045) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide
PubChem CID55925045
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(c1ccccn1)N(C(=O)CSCc1nc2ccccc2s1)C1CC1
InChIInChI=1S/C20H21N3OS2/c1-14(16-6-4-5-11-21-16)23(15-9-10-15)20(24)13-25-12-19-22-17-7-2-3-8-18(17)26-19/h2-8,11,14-15H,9-10,12-13H2,1H3
InChIKeyJYHTVHXSWHHYSX-UHFFFAOYSA-N
XLogP4.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 51966836
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide
CID 31528997
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-methylacetamide
CID 46421732
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55889849
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 55919915
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone
CID 31465783
3-acetamido-N-cyclopropyl-3-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)propanamide
CID 55921203
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide
CID 51144184
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 55742857
N-cyclopropyl-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-2-ylethyl)acetamide
CID 55921200
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 46662340
N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 55921327

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide (CID 55925045) is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide is CC(c1ccccn1)N(C(=O)CSCc1nc2ccccc2s1)C1CC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide?
The InChIKey is JYHTVHXSWHHYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS2/c1-14(16-6-4-5-11-21-16)23(15-9-10-15)20(24)13-25-12-19-22-17-7-2-3-8-18(17)26-19/h2-8,11,14-15H,9-10,12-13H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide?
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide has a molecular weight of 383.54 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 55925045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).