[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

C15H19N5OS — CID 124689404

IUPAC[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
SMILESC[C@@H](N)[C@@H]1CCCCN1C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C15H19N5OS/c1-10(16)12-5-2-3-8-20(12)15(21)11-9-22-14(19-11)13-17-6-4-7-18-13/h4,6-7,9-10,12H,2-3,5,8,16H2,1H3/t10-,12+/m1/s1
InChIKeyLFJCFACIIQYCKA-PWSUYJOCSA-N
MW317.42 g/mol
LogP1.94
Rot. Bonds3

About [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 124689404) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID124689404
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
SMILESC[C@@H](N)[C@@H]1CCCCN1C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C15H19N5OS/c1-10(16)12-5-2-3-8-20(12)15(21)11-9-22-14(19-11)13-17-6-4-7-18-13/h4,6-7,9-10,12H,2-3,5,8,16H2,1H3/t10-,12+/m1/s1
InChIKeyLFJCFACIIQYCKA-PWSUYJOCSA-N
XLogP1.94
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119437020
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 126789127
[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methanone
CID 119436422
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 94589806
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 125152678
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
4-[2-(1-aminoethyl)piperidine-1-carbonyl]thiophene-2-sulfonamide
CID 119434833
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103805490
[2-(1-aminoethyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 66156586
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 119436088

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone (CID 124689404) is [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone is C[C@@H](N)[C@@H]1CCCCN1C(=O)c1csc(-c2ncccn2)n1.
What is the InChIKey of [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is LFJCFACIIQYCKA-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10(16)12-5-2-3-8-20(12)15(21)11-9-22-14(19-11)13-17-6-4-7-18-13/h4,6-7,9-10,12H,2-3,5,8,16H2,1H3/t10-,12+/m1/s1.
What are the key properties of [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 317.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124689404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).