4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

C17H20N6S — CID 110090161

IUPAC4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCCC(c3cncc(-n4ccnc4)n3)C2)cs1
InChIInChI=1S/C17H20N6S/c1-13-20-15(11-24-13)10-22-5-2-3-14(9-22)16-7-19-8-17(21-16)23-6-4-18-12-23/h4,6-8,11-12,14H,2-3,5,9-10H2,1H3
InChIKeyKPFADRSSGDUWOC-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.81
Rot. Bonds4

About 4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 110090161) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID110090161
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCCC(c3cncc(-n4ccnc4)n3)C2)cs1
InChIInChI=1S/C17H20N6S/c1-13-20-15(11-24-13)10-22-5-2-3-14(9-22)16-7-19-8-17(21-16)23-6-4-18-12-23/h4,6-8,11-12,14H,2-3,5,9-10H2,1H3
InChIKeyKPFADRSSGDUWOC-UHFFFAOYSA-N
XLogP2.81
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

2-imidazol-1-yl-6-[(3R)-1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrazine
CID 124993320
2-imidazol-1-yl-6-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 110091021
2-imidazol-1-yl-6-[(3R)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 125010570
2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyrazine
CID 110090958
2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
CID 95815844
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382
2-imidazol-1-yl-6-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 110253590
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 110096341
1-[(3S)-3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95815681
4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 70734472
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 110090161) is 4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCCC(c3cncc(-n4ccnc4)n3)C2)cs1.
What is the InChIKey of 4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is KPFADRSSGDUWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-13-20-15(11-24-13)10-22-5-2-3-14(9-22)16-7-19-8-17(21-16)23-6-4-18-12-23/h4,6-8,11-12,14H,2-3,5,9-10H2,1H3.
What are the key properties of 4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 110090161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).