(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide

C16H20N4O2S — CID 9336787

IUPAC(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide
SMILESC[C@H](C(=O)NC(N)=O)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H20N4O2S/c1-10(14(21)19-16(17)22)20-8-6-11(7-9-20)15-18-12-4-2-3-5-13(12)23-15/h2-5,10-11H,6-9H2,1H3,(H3,17,19,21,22)/t10-/m1/s1
InChIKeyONJKLCYBZOUAJJ-SNVBAGLBSA-N
MW332.43 g/mol
LogP2.06
Rot. Bonds3

About (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide

(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide (PubChem CID 9336787) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide
PubChem CID9336787
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide
SMILESC[C@H](C(=O)NC(N)=O)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H20N4O2S/c1-10(14(21)19-16(17)22)20-8-6-11(7-9-20)15-18-12-4-2-3-5-13(12)23-15/h2-5,10-11H,6-9H2,1H3,(H3,17,19,21,22)/t10-/m1/s1
InChIKeyONJKLCYBZOUAJJ-SNVBAGLBSA-N
XLogP2.06
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]urea
CID 112761722
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 9336851
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9206680
(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzyl-N-methylpropanamide
CID 9356997
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-carbamoyl-2-phenylacetamide
CID 8832281
N-[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 78775818
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-benzylbutanamide
CID 42884260
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
(2S)-2-amino-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one
CID 79023936
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 9218722
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9337460
(2S)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 9378088

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide?
The IUPAC name of (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide (CID 9336787) is (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide.
What is the SMILES notation for (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide?
The canonical SMILES for (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide is C[C@H](C(=O)NC(N)=O)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide?
The InChIKey is ONJKLCYBZOUAJJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10(14(21)19-16(17)22)20-8-6-11(7-9-20)15-18-12-4-2-3-5-13(12)23-15/h2-5,10-11H,6-9H2,1H3,(H3,17,19,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide?
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide has a molecular weight of 332.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-carbamoylpropanamide is sourced from PubChem (CID 9336787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).