5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

C17H20N6S — CID 110099995

IUPAC5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCC(c2nccnc2-c2ncc[nH]2)CC1
InChIInChI=1S/C17H20N6S/c1-12-14(24-11-22-12)10-23-8-2-13(3-9-23)15-16(19-5-4-18-15)17-20-6-7-21-17/h4-7,11,13H,2-3,8-10H2,1H3,(H,20,21)
InChIKeyFJABULZLWUEZTH-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.01
Rot. Bonds4

About 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 110099995) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID110099995
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCC(c2nccnc2-c2ncc[nH]2)CC1
InChIInChI=1S/C17H20N6S/c1-12-14(24-11-22-12)10-23-8-2-13(3-9-23)15-16(19-5-4-18-15)17-20-6-7-21-17/h4-7,11,13H,2-3,8-10H2,1H3,(H,20,21)
InChIKeyFJABULZLWUEZTH-UHFFFAOYSA-N
XLogP3.01
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

6-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1H-indole
CID 110110865
5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 110099694
2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine
CID 110099974
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
1-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 53193301
5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 131892163
5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 53192329
N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 124958456
[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110110080
4-methyl-5-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 155986862
4-methyl-5-[[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72844706
6-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 84594186

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 110099995) is 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCC(c2nccnc2-c2ncc[nH]2)CC1.
What is the InChIKey of 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is FJABULZLWUEZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-14(24-11-22-12)10-23-8-2-13(3-9-23)15-16(19-5-4-18-15)17-20-6-7-21-17/h4-7,11,13H,2-3,8-10H2,1H3,(H,20,21).
What are the key properties of 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 110099995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).