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

C12H18F3N3S — CID 120967320

IUPAC[3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCc1nc(C(F)(F)F)c(CN2CCC(C)(CN)C2)s1
InChIInChI=1S/C12H18F3N3S/c1-8-17-10(12(13,14)15)9(19-8)5-18-4-3-11(2,6-16)7-18/h3-7,16H2,1-2H3
InChIKeyHUNHVMHPXURYSI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.64
Rot. Bonds3

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

[3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120967320) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is [3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID120967320
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name[3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCc1nc(C(F)(F)F)c(CN2CCC(C)(CN)C2)s1
InChIInChI=1S/C12H18F3N3S/c1-8-17-10(12(13,14)15)9(19-8)5-18-4-3-11(2,6-16)7-18/h3-7,16H2,1-2H3
InChIKeyHUNHVMHPXURYSI-UHFFFAOYSA-N
XLogP2.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine (CID 120967320) is [3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine is Cc1nc(C(F)(F)F)c(CN2CCC(C)(CN)C2)s1.
What is the InChIKey of [3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is HUNHVMHPXURYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-8-17-10(12(13,14)15)9(19-8)5-18-4-3-11(2,6-16)7-18/h3-7,16H2,1-2H3.
What are the key properties of [3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 293.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120967320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).