[(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C17H21N5O2S — CID 51963972

IUPAC[(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C17H21N5O2S/c23-17(14-3-1-10-24-14)22-8-6-21(7-9-22)11-13-12-25-16(20-13)15-18-4-2-5-19-15/h2,4-5,12,14H,1,3,6-11H2/t14-/m0/s1
InChIKeyNEOHSBGNCPFINX-AWEZNQCLSA-N
MW359.46 g/mol
LogP1.42
Rot. Bonds4

About [(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

[(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 51963972) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID51963972
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name[(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C17H21N5O2S/c23-17(14-3-1-10-24-14)22-8-6-21(7-9-22)11-13-12-25-16(20-13)15-18-4-2-5-19-15/h2,4-5,12,14H,1,3,6-11H2/t14-/m0/s1
InChIKeyNEOHSBGNCPFINX-AWEZNQCLSA-N
XLogP1.42
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94163832
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134059948
[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 134714404
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9237767
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 95895868
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
7-bicyclo[4.1.0]heptanyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 46972591
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 6466812

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 51963972) is [(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is O=C([C@@H]1CCCO1)N1CCN(Cc2csc(-c3ncccn3)n2)CC1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is NEOHSBGNCPFINX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O2S/c23-17(14-3-1-10-24-14)22-8-6-21(7-9-22)11-13-12-25-16(20-13)15-18-4-2-5-19-15/h2,4-5,12,14H,1,3,6-11H2/t14-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
[(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 359.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 51963972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).