N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine

C8H9F3N2S — CID 175417372

IUPACN-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine
SMILESCNc1csc(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C8H9F3N2S/c1-12-5-4-14-6(13-5)7(2-3-7)8(9,10)11/h4,12H,2-3H2,1H3
InChIKeyJZLHCBMUFRIRGB-UHFFFAOYSA-N
MW222.23 g/mol
LogP2.78
Rot. Bonds2

About N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine

N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine (PubChem CID 175417372) has the molecular formula C8H9F3N2S and a molecular weight of 222.23 g/mol. Its IUPAC name is N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine
PubChem CID175417372
Molecular FormulaC8H9F3N2S
Molecular Weight222.23 g/mol
Exact Mass222.04
IUPAC NameN-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine
SMILESCNc1csc(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C8H9F3N2S/c1-12-5-4-14-6(13-5)7(2-3-7)8(9,10)11/h4,12H,2-3H2,1H3
InChIKeyJZLHCBMUFRIRGB-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine?
The IUPAC name of N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine (CID 175417372) is N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine.
What is the SMILES notation for N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine?
The canonical SMILES for N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine is CNc1csc(C2(C(F)(F)F)CC2)n1.
What is the InChIKey of N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine?
The InChIKey is JZLHCBMUFRIRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2S/c1-12-5-4-14-6(13-5)7(2-3-7)8(9,10)11/h4,12H,2-3H2,1H3.
What are the key properties of N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine?
N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine has a molecular weight of 222.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 175417372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).