1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine

C7H7F3N2S — CID 105461467

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C7H7F3N2S/c8-7(9,10)4-3-13-5(12-4)6(11)1-2-6/h3H,1-2,11H2
InChIKeyFUPXSDATLOIDLS-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.11
Rot. Bonds1

About 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine (PubChem CID 105461467) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
PubChem CID105461467
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C7H7F3N2S/c8-7(9,10)4-3-13-5(12-4)6(11)1-2-6/h3H,1-2,11H2
InChIKeyFUPXSDATLOIDLS-UHFFFAOYSA-N
XLogP2.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine (CID 105461467) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine is NC1(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
The InChIKey is FUPXSDATLOIDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c8-7(9,10)4-3-13-5(12-4)6(11)1-2-6/h3H,1-2,11H2.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine has a molecular weight of 208.21 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 105461467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).