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

C17H20N6S — CID 110099860

IUPAC4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1c[nH]c(-c2cncc(CC3CCCN(Cc4cscn4)C3)n2)n1
InChIInChI=1S/C17H20N6S/c1-2-13(9-23(5-1)10-15-11-24-12-21-15)6-14-7-18-8-16(22-14)17-19-3-4-20-17/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyWAZQGBLSDWKQBV-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.78
Rot. Bonds5

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

4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099860) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099860
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1c[nH]c(-c2cncc(CC3CCCN(Cc4cscn4)C3)n2)n1
InChIInChI=1S/C17H20N6S/c1-2-13(9-23(5-1)10-15-11-24-12-21-15)6-14-7-18-8-16(22-14)17-19-3-4-20-17/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyWAZQGBLSDWKQBV-UHFFFAOYSA-N
XLogP2.78
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 155983321
2-[[(3S)-3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 125010991
5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 110099694
2-cyclohexyl-1-[(3S)-3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124973910
2-[2-ethoxy-4-[[(3R)-3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 124965499
2-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(1H-imidazol-2-yl)pyrazine
CID 110109890
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099460
4-[[(3R)-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 124991175
4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 64949220
4-[[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 99959433
4-[[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 124980275
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
CID 110095075

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 110099860) is 4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole is c1c[nH]c(-c2cncc(CC3CCCN(Cc4cscn4)C3)n2)n1.
What is the InChIKey of 4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is WAZQGBLSDWKQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-2-13(9-23(5-1)10-15-11-24-12-21-15)6-14-7-18-8-16(22-14)17-19-3-4-20-17/h3-4,7-8,11-13H,1-2,5-6,9-10H2,(H,19,20).
What are the key properties of 4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).