N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C15H16F3N3S — CID 87377630

IUPACN-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCC(c3cc(F)cc(F)c3F)C2)s1
InChIInChI=1S/C15H16F3N3S/c1-19-15-20-6-11(22-15)8-21-3-2-9(7-21)12-4-10(16)5-13(17)14(12)18/h4-6,9H,2-3,7-8H2,1H3,(H,19,20)
InChIKeyWPOREMFAZVBFEL-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.59
Rot. Bonds4

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

N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 87377630) has the molecular formula C15H16F3N3S and a molecular weight of 327.38 g/mol. Its IUPAC name is N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID87377630
Molecular FormulaC15H16F3N3S
Molecular Weight327.38 g/mol
Exact Mass327.10
IUPAC NameN-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCC(c3cc(F)cc(F)c3F)C2)s1
InChIInChI=1S/C15H16F3N3S/c1-19-15-20-6-11(22-15)8-21-3-2-9(7-21)12-4-10(16)5-13(17)14(12)18/h4-6,9H,2-3,7-8H2,1H3,(H,19,20)
InChIKeyWPOREMFAZVBFEL-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 87377630) is N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is CNc1ncc(CN2CCC(c3cc(F)cc(F)c3F)C2)s1.
What is the InChIKey of N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is WPOREMFAZVBFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3S/c1-19-15-20-6-11(22-15)8-21-3-2-9(7-21)12-4-10(16)5-13(17)14(12)18/h4-6,9H,2-3,7-8H2,1H3,(H,19,20).
What are the key properties of N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 327.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[3-(2,3,5-trifluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87377630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).