4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine

C6H8F3N3S — CID 130915076

IUPAC4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine
SMILESNc1nc(C[C@@H](N)C(F)(F)F)cs1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)4(10)1-3-2-13-5(11)12-3/h2,4H,1,10H2,(H2,11,12)/t4-/m1/s1
InChIKeyPFDSWWQMKYQTJD-SCSAIBSYSA-N
MW211.21 g/mol
LogP1.16
Rot. Bonds2

About 4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine

4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine (PubChem CID 130915076) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is 4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine
PubChem CID130915076
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine
SMILESNc1nc(C[C@@H](N)C(F)(F)F)cs1
InChIInChI=1S/C6H8F3N3S/c7-6(8,9)4(10)1-3-2-13-5(11)12-3/h2,4H,1,10H2,(H2,11,12)/t4-/m1/s1
InChIKeyPFDSWWQMKYQTJD-SCSAIBSYSA-N
XLogP1.16
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine (CID 130915076) is 4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine is Nc1nc(C[C@@H](N)C(F)(F)F)cs1.
What is the InChIKey of 4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine?
The InChIKey is PFDSWWQMKYQTJD-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c7-6(8,9)4(10)1-3-2-13-5(11)12-3/h2,4H,1,10H2,(H2,11,12)/t4-/m1/s1.
What are the key properties of 4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine?
4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine has a molecular weight of 211.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-3,3,3-trifluoropropyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130915076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).