1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid

C15H14F5N5O2S — CID 166274781

IUPAC1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
SMILESFC1(F)CC1n1ccc(CNCc2cn3ccsc3n2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H13F2N5S.C2HF3O2/c14-13(15)5-11(13)20-2-1-9(18-20)6-16-7-10-8-19-3-4-21-12(19)17-10;3-2(4,5)1(6)7/h1-4,8,11,16H,5-7H2;(H,6,7)
InChIKeyHHHFKWKNBNYCLC-UHFFFAOYSA-N
MW423.37 g/mol
LogP3.10
Rot. Bonds5

About 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid

1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 166274781) has the molecular formula C15H14F5N5O2S and a molecular weight of 423.37 g/mol. Its IUPAC name is 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID166274781
Molecular FormulaC15H14F5N5O2S
Molecular Weight423.37 g/mol
Exact Mass423.08
IUPAC Name1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid
SMILESFC1(F)CC1n1ccc(CNCc2cn3ccsc3n2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H13F2N5S.C2HF3O2/c14-13(15)5-11(13)20-2-1-9(18-20)6-16-7-10-8-19-3-4-21-12(19)17-10;3-2(4,5)1(6)7/h1-4,8,11,16H,5-7H2;(H,6,7)
InChIKeyHHHFKWKNBNYCLC-UHFFFAOYSA-N
XLogP3.10
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid with MolForge

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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
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
2-[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63816259
1-[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63817492
6-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 113544608
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154924334
1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 166274782
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 166302800
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 166302801
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-(1H-pyrazol-1-yl)butanamide
CID 72896210

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid (CID 166274781) is 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid is FC1(F)CC1n1ccc(CNCc2cn3ccsc3n2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is HHHFKWKNBNYCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5S.C2HF3O2/c14-13(15)5-11(13)20-2-1-9(18-20)6-16-7-10-8-19-3-4-21-12(19)17-10;3-2(4,5)1(6)7/h1-4,8,11,16H,5-7H2;(H,6,7).
What are the key properties of 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid?
1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 423.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166274781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).