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

C17H20N6S — CID 110099888

IUPAC5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2nccnc2-c2ncc[nH]2)C1
InChIInChI=1S/C17H20N6S/c1-12-14(24-11-22-12)10-23-8-2-3-13(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)
InChIKeyDTLWDBDHQUWTSY-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.01
Rot. Bonds4

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

5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 110099888) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID110099888
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2nccnc2-c2ncc[nH]2)C1
InChIInChI=1S/C17H20N6S/c1-12-14(24-11-22-12)10-23-8-2-3-13(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)
InChIKeyDTLWDBDHQUWTSY-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-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 110099888) is 5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCCC(c2nccnc2-c2ncc[nH]2)C1.
What is the InChIKey of 5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is DTLWDBDHQUWTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-14(24-11-22-12)10-23-8-2-3-13(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-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[3-[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-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 110099888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).