2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

C14H18F3N5S — CID 97236605

IUPAC2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)Cn1cnnc1[C@H]1CCCN1c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H18F3N5S/c1-9(2)6-21-8-18-20-12(21)10-4-3-5-22(10)13-19-11(7-23-13)14(15,16)17/h7-10H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyBRQSODYQILQTLC-SNVBAGLBSA-N
MW345.39 g/mol
LogP3.75
Rot. Bonds4

About 2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 97236605) has the molecular formula C14H18F3N5S and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID97236605
Molecular FormulaC14H18F3N5S
Molecular Weight345.39 g/mol
Exact Mass345.12
IUPAC Name2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)Cn1cnnc1[C@H]1CCCN1c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H18F3N5S/c1-9(2)6-21-8-18-20-12(21)10-4-3-5-22(10)13-19-11(7-23-13)14(15,16)17/h7-10H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyBRQSODYQILQTLC-SNVBAGLBSA-N
XLogP3.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole 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 2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 97236605) is 2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is CC(C)Cn1cnnc1[C@H]1CCCN1c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is BRQSODYQILQTLC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F3N5S/c1-9(2)6-21-8-18-20-12(21)10-4-3-5-22(10)13-19-11(7-23-13)14(15,16)17/h7-10H,3-6H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 345.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 97236605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).