(2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

C14H19N5OS — CID 95767630

IUPAC(2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCc1csc([C@H]2CCCCN2C(=O)[C@@H](C)n2cncn2)n1
InChIInChI=1S/C14H19N5OS/c1-10-7-21-13(17-10)12-5-3-4-6-18(12)14(20)11(2)19-9-15-8-16-19/h7-9,11-12H,3-6H2,1-2H3/t11-,12-/m1/s1
InChIKeyJOZZIXWZBHGDFM-VXGBXAGGSA-N
MW305.41 g/mol
LogP2.36
Rot. Bonds3

About (2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

(2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 95767630) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID95767630
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name(2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCc1csc([C@H]2CCCCN2C(=O)[C@@H](C)n2cncn2)n1
InChIInChI=1S/C14H19N5OS/c1-10-7-21-13(17-10)12-5-3-4-6-18(12)14(20)11(2)19-9-15-8-16-19/h7-9,11-12H,3-6H2,1-2H3/t11-,12-/m1/s1
InChIKeyJOZZIXWZBHGDFM-VXGBXAGGSA-N
XLogP2.36
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95762407
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 43421695
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443
2,3-dihydrofuran-4-yl-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768479
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762332
(2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95736035
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762416
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762464
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762466
(5-methylfuran-2-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762285
2-[cyclopropyl(methyl)amino]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95780512

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of (2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (CID 95767630) is (2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is Cc1csc([C@H]2CCCCN2C(=O)[C@@H](C)n2cncn2)n1.
What is the InChIKey of (2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is JOZZIXWZBHGDFM-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-7-21-13(17-10)12-5-3-4-6-18(12)14(20)11(2)19-9-15-8-16-19/h7-9,11-12H,3-6H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
(2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 305.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 95767630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).