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

C18H22N6S — CID 70735220

IUPAC4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(C)c(N2CCC(c3nccn3Cc3cscn3)CC2)n1
InChIInChI=1S/C18H22N6S/c1-13-9-20-14(2)17(22-13)23-6-3-15(4-7-23)18-19-5-8-24(18)10-16-11-25-12-21-16/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3
InChIKeyLGEGJBREMAGTGT-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.18
Rot. Bonds4

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

4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 70735220) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID70735220
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(C)c(N2CCC(c3nccn3Cc3cscn3)CC2)n1
InChIInChI=1S/C18H22N6S/c1-13-9-20-14(2)17(22-13)23-6-3-15(4-7-23)18-19-5-8-24(18)10-16-11-25-12-21-16/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3
InChIKeyLGEGJBREMAGTGT-UHFFFAOYSA-N
XLogP3.18
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-(3-methyl-2-buten-1-yl)-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70734501
1-(1-pyrrolidinylcarbonyl)-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70750908
2-methyl-5-({3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyrazine
CID 72899785
3-(1-isopropyl-1H-imidazol-2-yl)-1-(1,3-thiazol-4-ylmethyl)piperidine
CID 72847349
5-[[3-[[1-(Cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 124046116
6-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-4-pyrimidinamine
CID 70755095
5-fluoro-N,N-dimethyl-2-{3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidin-4-amine
CID 72931078
5-fluoro-N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97284976
5-fluoro-N,N-dimethyl-2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97284977
N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129007379
N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129332449
N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129332450

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole (CID 70735220) is 4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole is Cc1cnc(C)c(N2CCC(c3nccn3Cc3cscn3)CC2)n1.
What is the InChIKey of 4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is LGEGJBREMAGTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-13-9-20-14(2)17(22-13)23-6-3-15(4-7-23)18-19-5-8-24(18)10-16-11-25-12-21-16/h5,8-9,11-12,15H,3-4,6-7,10H2,1-2H3.
What are the key properties of 4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 354.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 70735220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).