4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole

C17H20N6S — CID 110099949

IUPAC4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCn1ccnc1-c1cncc(C2CCN(Cc3cscn3)CC2)n1
InChIInChI=1S/C17H20N6S/c1-22-7-4-19-17(22)16-9-18-8-15(21-16)13-2-5-23(6-3-13)10-14-11-24-12-20-14/h4,7-9,11-13H,2-3,5-6,10H2,1H3
InChIKeyNQSJOUNEKYWROM-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.71
Rot. Bonds4

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

4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099949) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099949
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCn1ccnc1-c1cncc(C2CCN(Cc3cscn3)CC2)n1
InChIInChI=1S/C17H20N6S/c1-22-7-4-19-17(22)16-9-18-8-15(21-16)13-2-5-23(6-3-13)10-14-11-24-12-20-14/h4,7-9,11-13H,2-3,5-6,10H2,1H3
InChIKeyNQSJOUNEKYWROM-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 124980275
2-[(3R)-3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]ethanol
CID 124989098
4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136541469
4-methyl-5-[[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72844706
4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72842227
4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 124945248
[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 110099957
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-6-pyridin-3-yloxypyrazine
CID 95844018
5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125023271
2-methyl-5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 118739889
4-methyl-5-[[4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099760
4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine
CID 118790214

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 110099949) is 4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is Cn1ccnc1-c1cncc(C2CCN(Cc3cscn3)CC2)n1.
What is the InChIKey of 4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is NQSJOUNEKYWROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-22-7-4-19-17(22)16-9-18-8-15(21-16)13-2-5-23(6-3-13)10-14-11-24-12-20-14/h4,7-9,11-13H,2-3,5-6,10H2,1H3.
What are the key properties of 4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).