N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

C8H11F3N2O2S — CID 87961106

IUPACN-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCCNc1ncc(C)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2S.C2HF3O2/c1-3-7-6-8-4-5(2)9-6;3-2(4,5)1(6)7/h4H,3H2,1-2H3,(H,7,8);(H,6,7)
InChIKeyCDXRUJNVWFDZBK-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.52
Rot. Bonds2

About N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 87961106) has the molecular formula C8H11F3N2O2S and a molecular weight of 256.25 g/mol. Its IUPAC name is N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID87961106
Molecular FormulaC8H11F3N2O2S
Molecular Weight256.25 g/mol
Exact Mass256.05
IUPAC NameN-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCCNc1ncc(C)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10N2S.C2HF3O2/c1-3-7-6-8-4-5(2)9-6;3-2(4,5)1(6)7/h4H,3H2,1-2H3,(H,7,8);(H,6,7)
InChIKeyCDXRUJNVWFDZBK-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (CID 87961106) is N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is CCNc1ncc(C)s1.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is CDXRUJNVWFDZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.C2HF3O2/c1-3-7-6-8-4-5(2)9-6;3-2(4,5)1(6)7/h4H,3H2,1-2H3,(H,7,8);(H,6,7).
What are the key properties of N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 256.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87961106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).