2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine

C8H8F3N5S — CID 66628937

IUPAC2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine
SMILESC[C@H](n1cnnc1-c1nc(N)cs1)C(F)(F)F
InChIInChI=1S/C8H8F3N5S/c1-4(8(9,10)11)16-3-13-15-6(16)7-14-5(12)2-17-7/h2-4H,12H2,1H3/t4-/m0/s1
InChIKeyPBHWFLPXKQBCML-BYPYZUCNSA-N
MW263.25 g/mol
LogP2.11
Rot. Bonds2

About 2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine

2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine (PubChem CID 66628937) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine
PubChem CID66628937
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC Name2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine
SMILESC[C@H](n1cnnc1-c1nc(N)cs1)C(F)(F)F
InChIInChI=1S/C8H8F3N5S/c1-4(8(9,10)11)16-3-13-15-6(16)7-14-5(12)2-17-7/h2-4H,12H2,1H3/t4-/m0/s1
InChIKeyPBHWFLPXKQBCML-BYPYZUCNSA-N
XLogP2.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine?
The IUPAC name of 2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine (CID 66628937) is 2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine is C[C@H](n1cnnc1-c1nc(N)cs1)C(F)(F)F.
What is the InChIKey of 2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine?
The InChIKey is PBHWFLPXKQBCML-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H8F3N5S/c1-4(8(9,10)11)16-3-13-15-6(16)7-14-5(12)2-17-7/h2-4H,12H2,1H3/t4-/m0/s1.
What are the key properties of 2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine?
2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine has a molecular weight of 263.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine is sourced from PubChem (CID 66628937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).