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

C16H15F3N8O2S — CID 154924334

IUPACN-(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
SMILESCn1ncnc1-c1ccnc(NCCc2cn3ccsc3n2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H14N8S.C2HF3O2/c1-21-12(17-9-18-21)11-3-5-16-13(20-11)15-4-2-10-8-22-6-7-23-14(22)19-10;3-2(4,5)1(6)7/h3,5-9H,2,4H2,1H3,(H,15,16,20);(H,6,7)
InChIKeyMDPDGAHPJCEDEI-UHFFFAOYSA-N
MW440.41 g/mol
LogP2.27
Rot. Bonds5

About 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

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 (PubChem CID 154924334) has the molecular formula C16H15F3N8O2S and a molecular weight of 440.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID154924334
Molecular FormulaC16H15F3N8O2S
Molecular Weight440.41 g/mol
Exact Mass440.10
IUPAC NameN-(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
SMILESCn1ncnc1-c1ccnc(NCCc2cn3ccsc3n2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H14N8S.C2HF3O2/c1-21-12(17-9-18-21)11-3-5-16-13(20-11)15-4-2-10-8-22-6-7-23-14(22)19-10;3-2(4,5)1(6)7/h3,5-9H,2,4H2,1H3,(H,15,16,20);(H,6,7)
InChIKeyMDPDGAHPJCEDEI-UHFFFAOYSA-N
XLogP2.27
TPSA123.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
2-[6-[3-(Trifluoromethyl)pyrazol-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63816259
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154885204
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
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-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(1-methyl-1H-1,2,4-triazol-5-yl)-2-pyrimidinamine trifluoroacetate
CID 29209207
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 133912849
N-[2-[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)tetrazol-1-yl]ethyl]pyrimidin-2-amine
CID 167777199

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1ncnc1-c1ccnc(NCCc2cn3ccsc3n2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is MDPDGAHPJCEDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8S.C2HF3O2/c1-21-12(17-9-18-21)11-3-5-16-13(20-11)15-4-2-10-8-22-6-7-23-14(22)19-10;3-2(4,5)1(6)7/h3,5-9H,2,4H2,1H3,(H,15,16,20);(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 440.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154924334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).