N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine

C10H13F2N3S — CID 115405941

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine
SMILESCc1nc2scc(C)n2c1CNCC(F)F
InChIInChI=1S/C10H13F2N3S/c1-6-5-16-10-14-7(2)8(15(6)10)3-13-4-9(11)12/h5,9,13H,3-4H2,1-2H3
InChIKeyZSBYDBUICNPZMG-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.37
Rot. Bonds4

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine (PubChem CID 115405941) has the molecular formula C10H13F2N3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine
PubChem CID115405941
Molecular FormulaC10H13F2N3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine
SMILESCc1nc2scc(C)n2c1CNCC(F)F
InChIInChI=1S/C10H13F2N3S/c1-6-5-16-10-14-7(2)8(15(6)10)3-13-4-9(11)12/h5,9,13H,3-4H2,1-2H3
InChIKeyZSBYDBUICNPZMG-UHFFFAOYSA-N
XLogP2.37
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine (CID 115405941) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine is Cc1nc2scc(C)n2c1CNCC(F)F.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is ZSBYDBUICNPZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3S/c1-6-5-16-10-14-7(2)8(15(6)10)3-13-4-9(11)12/h5,9,13H,3-4H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 245.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115405941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).