4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol

C24H30ClN3O3S2 — CID 146411352

About 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol

4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol (PubChem CID 146411352) has the molecular formula C24H30ClN3O3S2 and a molecular weight of 508.11 g/mol. Its IUPAC name is 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol
• PubChem CID: 146411352
• Molecular Formula: C24H30ClN3O3S2
• Molecular Weight: 508.11 g/mol
• Exact Mass: 507.14
• IUPAC Name: 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol
• SMILES: Cc1nc2sc(C(C)(C)OC3COC3)cn2c1-c1ccc(Cl)c(SNC2CCC(O)CC2)c1
• InChI: InChI=1S/C24H30ClN3O3S2/c1-14-22(28-11-21(32-23(28)26-14)24(2,3)31-18-12-30-13-18)15-4-9-19(25)20(10-15)33-27-16-5-7-17(29)8-6-16/h4,9-11,16-18,27,29H,5-8,12-13H2,1-3H3
• InChIKey: MABJMNKAQHWSPB-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 68.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.11
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol?

The IUPAC name of 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol (CID 146411352) is 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol.

What is the SMILES notation for 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol?

The canonical SMILES for 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol is Cc1nc2sc(C(C)(C)OC3COC3)cn2c1-c1ccc(Cl)c(SNC2CCC(O)CC2)c1.

What is the InChIKey of 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol?

The InChIKey is MABJMNKAQHWSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3S2/c1-14-22(28-11-21(32-23(28)26-14)24(2,3)31-18-12-30-13-18)15-4-9-19(25)20(10-15)33-27-16-5-7-17(29)8-6-16/h4,9-11,16-18,27,29H,5-8,12-13H2,1-3H3.

What are the key properties of 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol?

4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol has a molecular weight of 508.11 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-chloro-5-[6-methyl-2-[2-(oxetan-3-yloxy)propan-2-yl]imidazo[2,1-b][1,3]thiazol-5-yl]phenyl]sulfanylamino]cyclohexan-1-ol is sourced from PubChem (CID 146411352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).