4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

C10H15F3N4O2S — CID 87112175

IUPAC4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nc(CN2CCNCC2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N4S.C2HF3O2/c9-8-11-7(6-13-8)5-12-3-1-10-2-4-12;3-2(4,5)1(6)7/h6,10H,1-5H2,(H2,9,11);(H,6,7)
InChIKeyLZRYKTLOPOAIQY-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.76
Rot. Bonds2

About 4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 87112175) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID87112175
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC Name4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nc(CN2CCNCC2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N4S.C2HF3O2/c9-8-11-7(6-13-8)5-12-3-1-10-2-4-12;3-2(4,5)1(6)7/h6,10H,1-5H2,(H2,9,11);(H,6,7)
InChIKeyLZRYKTLOPOAIQY-UHFFFAOYSA-N
XLogP0.76
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (CID 87112175) is 4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is Nc1nc(CN2CCNCC2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is LZRYKTLOPOAIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S.C2HF3O2/c9-8-11-7(6-13-8)5-12-3-1-10-2-4-12;3-2(4,5)1(6)7/h6,10H,1-5H2,(H2,9,11);(H,6,7).
What are the key properties of 4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 312.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87112175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).