2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide

C18H24N4OS — CID 67452508

IUPAC2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
SMILESNC(=O)C(c1nc2ccccc2s1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C18H24N4OS/c19-17(23)16(18-20-14-5-1-2-6-15(14)24-18)22-11-7-13(8-12-22)21-9-3-4-10-21/h1-2,5-6,13,16H,3-4,7-12H2,(H2,19,23)
InChIKeyBYCDMTLKDUESDA-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.38
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide

2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide (PubChem CID 67452508) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
PubChem CID67452508
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
SMILESNC(=O)C(c1nc2ccccc2s1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C18H24N4OS/c19-17(23)16(18-20-14-5-1-2-6-15(14)24-18)22-11-7-13(8-12-22)21-9-3-4-10-21/h1-2,5-6,13,16H,3-4,7-12H2,(H2,19,23)
InChIKeyBYCDMTLKDUESDA-UHFFFAOYSA-N
XLogP2.38
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 67452528
2-(1,3-benzothiazol-2-yl)-2-[(3S)-3-methylmorpholin-4-yl]acetamide
CID 67455232
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 78835980
1-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylcyclohexan-1-ol
CID 141093200
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
1-[1,3-benzothiazol-2-yl-(2-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3958005
1-[1,3-benzothiazol-2-yl-(2-bromophenyl)methyl]piperidine-4-carboxylic acid
CID 4019074
1-[1,3-benzothiazol-2-yl-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5185879
1-[1,3-benzothiazol-2-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3902125
1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3662771
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
1-[1,3-benzothiazol-2-yl-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 5092030

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide (CID 67452508) is 2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide is NC(=O)C(c1nc2ccccc2s1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The InChIKey is BYCDMTLKDUESDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c19-17(23)16(18-20-14-5-1-2-6-15(14)24-18)22-11-7-13(8-12-22)21-9-3-4-10-21/h1-2,5-6,13,16H,3-4,7-12H2,(H2,19,23).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 67452508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).