[2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H17N5O2S — CID 48571475

IUPAC[2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOCc1nc(C(=O)N2CCN(c3ncccn3)CC2)cs1
InChIInChI=1S/C14H17N5O2S/c1-21-9-12-17-11(10-22-12)13(20)18-5-7-19(8-6-18)14-15-3-2-4-16-14/h2-4,10H,5-9H2,1H3
InChIKeyOOXQVFOHWIMUJH-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.04
Rot. Bonds4

About [2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 48571475) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is [2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID48571475
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOCc1nc(C(=O)N2CCN(c3ncccn3)CC2)cs1
InChIInChI=1S/C14H17N5O2S/c1-21-9-12-17-11(10-22-12)13(20)18-5-7-19(8-6-18)14-15-3-2-4-16-14/h2-4,10H,5-9H2,1H3
InChIKeyOOXQVFOHWIMUJH-UHFFFAOYSA-N
XLogP1.04
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 96500660
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119828205
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95174920
2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 39159913
2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 84556880
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95342023
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 3866782
1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 48578478
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 50753784
[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 24712422
[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109364678

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 48571475) is [2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is COCc1nc(C(=O)N2CCN(c3ncccn3)CC2)cs1.
What is the InChIKey of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is OOXQVFOHWIMUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-21-9-12-17-11(10-22-12)13(20)18-5-7-19(8-6-18)14-15-3-2-4-16-14/h2-4,10H,5-9H2,1H3.
What are the key properties of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 319.39 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 48571475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).