4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole

C16H23N5OS — CID 95332203

IUPAC4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESCOCCN1CCN(Cc2csc(-c3ncccn3)n2)C[C@@H]1C
InChIInChI=1S/C16H23N5OS/c1-13-10-20(6-7-21(13)8-9-22-2)11-14-12-23-16(19-14)15-17-4-3-5-18-15/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyLYSBCTCHCTXBPJ-ZDUSSCGKSA-N
MW333.46 g/mol
LogP1.75
Rot. Bonds6

About 4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole

4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 95332203) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID95332203
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESCOCCN1CCN(Cc2csc(-c3ncccn3)n2)C[C@@H]1C
InChIInChI=1S/C16H23N5OS/c1-13-10-20(6-7-21(13)8-9-22-2)11-14-12-23-16(19-14)15-17-4-3-5-18-15/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1
InChIKeyLYSBCTCHCTXBPJ-ZDUSSCGKSA-N
XLogP1.75
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole with MolForge

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Related Compounds

N-[4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95333136
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CID 95348101
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CID 94380497
1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 71932947
2-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-benzoxazole
CID 95351742
(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
(2S)-1-[(2R)-2-methyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124730795
2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 146128587
2-[[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 95333025
4-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 56781796
(4S)-5,8-dimethoxy-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 51964070

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (CID 95332203) is 4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is COCCN1CCN(Cc2csc(-c3ncccn3)n2)C[C@@H]1C.
What is the InChIKey of 4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is LYSBCTCHCTXBPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-13-10-20(6-7-21(13)8-9-22-2)11-14-12-23-16(19-14)15-17-4-3-5-18-15/h3-5,12-13H,6-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 333.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 95332203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).