2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole

C14H18F3N5S — CID 71913734

IUPAC2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)s1
InChIInChI=1S/C14H18F3N5S/c1-8(2)12-20-21-13(23-12)22-5-3-9(4-6-22)11-18-7-10(19-11)14(15,16)17/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeySFGQSEVDGFFCOE-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.79
Rot. Bonds3

About 2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole

2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 71913734) has the molecular formula C14H18F3N5S and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID71913734
Molecular FormulaC14H18F3N5S
Molecular Weight345.39 g/mol
Exact Mass345.12
IUPAC Name2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)s1
InChIInChI=1S/C14H18F3N5S/c1-8(2)12-20-21-13(23-12)22-5-3-9(4-6-22)11-18-7-10(19-11)14(15,16)17/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeySFGQSEVDGFFCOE-UHFFFAOYSA-N
XLogP3.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole 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-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole (CID 71913734) is 2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole is CC(C)c1nnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)s1.
What is the InChIKey of 2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is SFGQSEVDGFFCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5S/c1-8(2)12-20-21-13(23-12)22-5-3-9(4-6-22)11-18-7-10(19-11)14(15,16)17/h7-9H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole?
2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 345.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 71913734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).