[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine

C11H16F3N3S — CID 120966086

IUPAC[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCc1nc(C(F)(F)F)c(CN2CCC(CN)C2)s1
InChIInChI=1S/C11H16F3N3S/c1-7-16-10(11(12,13)14)9(18-7)6-17-3-2-8(4-15)5-17/h8H,2-6,15H2,1H3
InChIKeyUNICLAFRICWEDP-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.25
Rot. Bonds3

About [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine

[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120966086) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID120966086
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCc1nc(C(F)(F)F)c(CN2CCC(CN)C2)s1
InChIInChI=1S/C11H16F3N3S/c1-7-16-10(11(12,13)14)9(18-7)6-17-3-2-8(4-15)5-17/h8H,2-6,15H2,1H3
InChIKeyUNICLAFRICWEDP-UHFFFAOYSA-N
XLogP2.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine (CID 120966086) is [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine is Cc1nc(C(F)(F)F)c(CN2CCC(CN)C2)s1.
What is the InChIKey of [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is UNICLAFRICWEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-7-16-10(11(12,13)14)9(18-7)6-17-3-2-8(4-15)5-17/h8H,2-6,15H2,1H3.
What are the key properties of [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 279.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120966086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).