1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine

C12H12F3N5S — CID 63817492

IUPAC1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1c(-n2ccc(C(F)(F)F)n2)nc2sccn12
InChIInChI=1S/C12H12F3N5S/c1-7(16)6-8-10(17-11-19(8)4-5-21-11)20-3-2-9(18-20)12(13,14)15/h2-5,7H,6,16H2,1H3
InChIKeyWCQIYCGLDUCONS-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.49
Rot. Bonds3

About 1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine

1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine (PubChem CID 63817492) has the molecular formula C12H12F3N5S and a molecular weight of 315.32 g/mol. Its IUPAC name is 1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
PubChem CID63817492
Molecular FormulaC12H12F3N5S
Molecular Weight315.32 g/mol
Exact Mass315.08
IUPAC Name1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1c(-n2ccc(C(F)(F)F)n2)nc2sccn12
InChIInChI=1S/C12H12F3N5S/c1-7(16)6-8-10(17-11-19(8)4-5-21-11)20-3-2-9(18-20)12(13,14)15/h2-5,7H,6,16H2,1H3
InChIKeyWCQIYCGLDUCONS-UHFFFAOYSA-N
XLogP2.49
TPSA61.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,4-dimethylpyrazol-3-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 136558667
2-[[3-(Fluoromethyl)-5-methylpyrazol-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 156330405
N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61631550
N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 61631749
[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 61631794
5-(Chloromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazole
CID 61631838
2-[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63816259
2-[6-[4-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 64176981
1-[6-[4-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 64177987
N-[[6-[4-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 64178103
[6-[4-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 64178280
N-methyl-1-[6-[4-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 64179116

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine (CID 63817492) is 1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine is CC(N)Cc1c(-n2ccc(C(F)(F)F)n2)nc2sccn12.
What is the InChIKey of 1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
The InChIKey is WCQIYCGLDUCONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5S/c1-7(16)6-8-10(17-11-19(8)4-5-21-11)20-3-2-9(18-20)12(13,14)15/h2-5,7H,6,16H2,1H3.
What are the key properties of 1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine?
1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine has a molecular weight of 315.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 63817492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).