2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

C17H25N5OS — CID 71926487

IUPAC2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCN(c3nccc(C)n3)CC2)cs1
InChIInChI=1S/C17H25N5OS/c1-4-23-14(3)16-20-15(12-24-16)11-21-7-9-22(10-8-21)17-18-6-5-13(2)19-17/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyKMMLPDXWMPOESP-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.66
Rot. Bonds6

About 2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 71926487) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID71926487
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCN(c3nccc(C)n3)CC2)cs1
InChIInChI=1S/C17H25N5OS/c1-4-23-14(3)16-20-15(12-24-16)11-21-7-9-22(10-8-21)17-18-6-5-13(2)19-17/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyKMMLPDXWMPOESP-UHFFFAOYSA-N
XLogP2.66
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

1-[4-[(2-Pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56801756
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56869678
N-Methyl-N-[(2-methyl-1,3-thiazol-4-YL)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 72880410
2-(1-Ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 84590359
11-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97502637
(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510720
N,6-dimethyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113761
N,N,6-trimethyl-2-[4-(1,3-thiazol-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 110113840
N,N,6-Trimethyl-2-{4-[(2-methyl-1,3-thiazol-4-YL)methyl]morpholin-3-YL}pyrimidin-4-amine
CID 110113843
N,N-dimethyl-1-[2-[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]pyrimidin-4-yl]methanamine
CID 110117267
2-{4-[(2,4-Dimethyl-1,3-thiazol-5-yl)methyl]-1-piperazinyl}pyrimidine
CID 29085213
4-[(2-Pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 45833783

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 71926487) is 2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is CCOC(C)c1nc(CN2CCN(c3nccc(C)n3)CC2)cs1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KMMLPDXWMPOESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-4-23-14(3)16-20-15(12-24-16)11-21-7-9-22(10-8-21)17-18-6-5-13(2)19-17/h5-6,12,14H,4,7-11H2,1-3H3.
What are the key properties of 2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 347.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 71926487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).