4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole

C15H22N4S — CID 72847349

IUPAC4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)n1ccnc1C1CCCN(Cc2cscn2)C1
InChIInChI=1S/C15H22N4S/c1-12(2)19-7-5-16-15(19)13-4-3-6-18(8-13)9-14-10-20-11-17-14/h5,7,10-13H,3-4,6,8-9H2,1-2H3
InChIKeyFMRDYLFWDGOUGI-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.30
Rot. Bonds4

About 4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole

4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 72847349) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID72847349
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)n1ccnc1C1CCCN(Cc2cscn2)C1
InChIInChI=1S/C15H22N4S/c1-12(2)19-7-5-16-15(19)13-4-3-6-18(8-13)9-14-10-20-11-17-14/h5,7,10-13H,3-4,6,8-9H2,1-2H3
InChIKeyFMRDYLFWDGOUGI-UHFFFAOYSA-N
XLogP3.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]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 4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 72847349) is 4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is CC(C)n1ccnc1C1CCCN(Cc2cscn2)C1.
What is the InChIKey of 4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FMRDYLFWDGOUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-12(2)19-7-5-16-15(19)13-4-3-6-18(8-13)9-14-10-20-11-17-14/h5,7,10-13H,3-4,6,8-9H2,1-2H3.
What are the key properties of 4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 290.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 72847349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).