5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C11H16F3N3S — CID 120905406

IUPAC5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCC1(C)C(C(F)(F)F)CCN1Cc1cnc(N)s1
InChIInChI=1S/C11H16F3N3S/c1-10(2)8(11(12,13)14)3-4-17(10)6-7-5-16-9(15)18-7/h5,8H,3-4,6H2,1-2H3,(H2,15,16)
InChIKeyPHKPAWMFOJKUCY-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.89
Rot. Bonds2

About 5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120905406) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120905406
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCC1(C)C(C(F)(F)F)CCN1Cc1cnc(N)s1
InChIInChI=1S/C11H16F3N3S/c1-10(2)8(11(12,13)14)3-4-17(10)6-7-5-16-9(15)18-7/h5,8H,3-4,6H2,1-2H3,(H2,15,16)
InChIKeyPHKPAWMFOJKUCY-UHFFFAOYSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120905406) is 5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is CC1(C)C(C(F)(F)F)CCN1Cc1cnc(N)s1.
What is the InChIKey of 5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is PHKPAWMFOJKUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-10(2)8(11(12,13)14)3-4-17(10)6-7-5-16-9(15)18-7/h5,8H,3-4,6H2,1-2H3,(H2,15,16).
What are the key properties of 5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120905406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).