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

C10H14F3N3O3S — CID 86660237

IUPAC4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nc(CN2CCOCC2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13N3OS.C2HF3O2/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11;3-2(4,5)1(6)7/h6H,1-5H2,(H2,9,10);(H,6,7)
InChIKeyZXLDYHFGOIHAJW-UHFFFAOYSA-N
MW313.30 g/mol
LogP1.19
Rot. Bonds2

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

4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 86660237) has the molecular formula C10H14F3N3O3S and a molecular weight of 313.30 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID86660237
Molecular FormulaC10H14F3N3O3S
Molecular Weight313.30 g/mol
Exact Mass313.07
IUPAC Name4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1nc(CN2CCOCC2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13N3OS.C2HF3O2/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11;3-2(4,5)1(6)7/h6H,1-5H2,(H2,9,10);(H,6,7)
InChIKeyZXLDYHFGOIHAJW-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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CID 87112181
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CID 130552797
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CID 7024422

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (CID 86660237) is 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is Nc1nc(CN2CCOCC2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ZXLDYHFGOIHAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS.C2HF3O2/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11;3-2(4,5)1(6)7/h6H,1-5H2,(H2,9,10);(H,6,7).
What are the key properties of 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
4-(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 4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86660237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).