N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine

C7H9F3N2S — CID 146535455

IUPACN-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2S/c1-4(2)12-6-11-3-5(13-6)7(8,9)10/h3-4H,1-2H3,(H,11,12)
InChIKeyMAFYKFYOGOEJRZ-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.98
Rot. Bonds2

About N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine

N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 146535455) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID146535455
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC NameN-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C7H9F3N2S/c1-4(2)12-6-11-3-5(13-6)7(8,9)10/h3-4H,1-2H3,(H,11,12)
InChIKeyMAFYKFYOGOEJRZ-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (CID 146535455) is N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is CC(C)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is MAFYKFYOGOEJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-4(2)12-6-11-3-5(13-6)7(8,9)10/h3-4H,1-2H3,(H,11,12).
What are the key properties of N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 210.22 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 146535455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).