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

C10H14F3N3O3S — CID 87112178

IUPAC5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1ncc(CN2CCOCC2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13N3OS.C2HF3O2/c9-8-10-5-7(13-8)6-11-1-3-12-4-2-11;3-2(4,5)1(6)7/h5H,1-4,6H2,(H2,9,10);(H,6,7)
InChIKeyHUVRSJHHXHCCFO-UHFFFAOYSA-N
MW313.30 g/mol
LogP1.19
Rot. Bonds2

About 5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 87112178) has the molecular formula C10H14F3N3O3S and a molecular weight of 313.30 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID87112178
Molecular FormulaC10H14F3N3O3S
Molecular Weight313.30 g/mol
Exact Mass313.07
IUPAC Name5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1ncc(CN2CCOCC2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13N3OS.C2HF3O2/c9-8-10-5-7(13-8)6-11-1-3-12-4-2-11;3-2(4,5)1(6)7/h5H,1-4,6H2,(H2,9,10);(H,6,7)
InChIKeyHUVRSJHHXHCCFO-UHFFFAOYSA-N
XLogP1.19
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (CID 87112178) is 5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is Nc1ncc(CN2CCOCC2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is HUVRSJHHXHCCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS.C2HF3O2/c9-8-10-5-7(13-8)6-11-1-3-12-4-2-11;3-2(4,5)1(6)7/h5H,1-4,6H2,(H2,9,10);(H,6,7).
What are the key properties of 5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 313.30 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87112178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).