3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol

C14H23N3OS — CID 106186193

IUPAC3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCc1cn2c(CNC(C)(C)C(C)(C)O)c(C)nc2s1
InChIInChI=1S/C14H23N3OS/c1-9-8-17-11(10(2)16-12(17)19-9)7-15-13(3,4)14(5,6)18/h8,15,18H,7H2,1-6H3
InChIKeyCCJCJIYDUDRLLZ-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.65
Rot. Bonds4

About 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol

3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 106186193) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol
PubChem CID106186193
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCc1cn2c(CNC(C)(C)C(C)(C)O)c(C)nc2s1
InChIInChI=1S/C14H23N3OS/c1-9-8-17-11(10(2)16-12(17)19-9)7-15-13(3,4)14(5,6)18/h8,15,18H,7H2,1-6H3
InChIKeyCCJCJIYDUDRLLZ-UHFFFAOYSA-N
XLogP2.65
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol (CID 106186193) is 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol is Cc1cn2c(CNC(C)(C)C(C)(C)O)c(C)nc2s1.
What is the InChIKey of 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is CCJCJIYDUDRLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9-8-17-11(10(2)16-12(17)19-9)7-15-13(3,4)14(5,6)18/h8,15,18H,7H2,1-6H3.
What are the key properties of 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol?
3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 281.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106186193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).