4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol

C15H24N4OS — CID 81096884

About 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol

4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol (PubChem CID 81096884) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol
• PubChem CID: 81096884
• Molecular Formula: C15H24N4OS
• Molecular Weight: 308.45 g/mol
• Exact Mass: 308.17
• IUPAC Name: 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol
• SMILES: CC(C)NCc1c(N2CCC(C)(O)CC2)nc2sccn12
• InChI: InChI=1S/C15H24N4OS/c1-11(2)16-10-12-13(17-14-19(12)8-9-21-14)18-6-4-15(3,20)5-7-18/h8-9,11,16,20H,4-7,10H2,1-3H3
• InChIKey: QXKAQVWMYOFJHQ-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 52.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.45
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol?

The IUPAC name of 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol (CID 81096884) is 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol.

What is the SMILES notation for 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol?

The canonical SMILES for 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol is CC(C)NCc1c(N2CCC(C)(O)CC2)nc2sccn12.

What is the InChIKey of 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol?

The InChIKey is QXKAQVWMYOFJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11(2)16-10-12-13(17-14-19(12)8-9-21-14)18-6-4-15(3,20)5-7-18/h8-9,11,16,20H,4-7,10H2,1-3H3.

What are the key properties of 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol?

4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol has a molecular weight of 308.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidin-4-ol is sourced from PubChem (CID 81096884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).