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

C11H15F2N3OS — CID 114153788

IUPAC3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCc1nc2scc(C)n2c1CNCC(F)(F)CO
InChIInChI=1S/C11H15F2N3OS/c1-7-4-18-10-15-8(2)9(16(7)10)3-14-5-11(12,13)6-17/h4,14,17H,3,5-6H2,1-2H3
InChIKeyKRFIHDAKYDZMKW-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.73
Rot. Bonds5

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

3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 114153788) has the molecular formula C11H15F2N3OS and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID114153788
Molecular FormulaC11H15F2N3OS
Molecular Weight275.32 g/mol
Exact Mass275.09
IUPAC Name3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCc1nc2scc(C)n2c1CNCC(F)(F)CO
InChIInChI=1S/C11H15F2N3OS/c1-7-4-18-10-15-8(2)9(16(7)10)3-14-5-11(12,13)6-17/h4,14,17H,3,5-6H2,1-2H3
InChIKeyKRFIHDAKYDZMKW-UHFFFAOYSA-N
XLogP1.73
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol (CID 114153788) is 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol is Cc1nc2scc(C)n2c1CNCC(F)(F)CO.
What is the InChIKey of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is KRFIHDAKYDZMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3OS/c1-7-4-18-10-15-8(2)9(16(7)10)3-14-5-11(12,13)6-17/h4,14,17H,3,5-6H2,1-2H3.
What are the key properties of 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 275.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 114153788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).