2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole

C15H19F3N4S2 — CID 133402896

IUPAC2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCC(C)(C)c1nnc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)s1
InChIInChI=1S/C15H19F3N4S2/c1-14(2,3)12-20-21-13(24-12)22-6-4-5-9(7-22)11-19-10(8-23-11)15(16,17)18/h8-9H,4-7H2,1-3H3
InChIKeyVMQSFLDIXCIBGH-UHFFFAOYSA-N
MW376.47 g/mol
LogP4.69
Rot. Bonds2

About 2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole

2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 133402896) has the molecular formula C15H19F3N4S2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID133402896
Molecular FormulaC15H19F3N4S2
Molecular Weight376.47 g/mol
Exact Mass376.10
IUPAC Name2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCC(C)(C)c1nnc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)s1
InChIInChI=1S/C15H19F3N4S2/c1-14(2,3)12-20-21-13(24-12)22-6-4-5-9(7-22)11-19-10(8-23-11)15(16,17)18/h8-9H,4-7H2,1-3H3
InChIKeyVMQSFLDIXCIBGH-UHFFFAOYSA-N
XLogP4.69
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133387898
2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133387919
2-[3-(azepan-1-yl)piperidin-1-yl]-5-tert-butyl-1,3,4-thiadiazole
CID 133454456
3-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 124890258
N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine
CID 133421563
2-[(3R)-1-(2,2-dimethoxyethyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 99715742
2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 133365893
2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133402902
1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol
CID 133397643
5-nitro-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]benzenesulfonamide
CID 133387907
1-phenyl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137268769
2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 124575843

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole (CID 133402896) is 2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole is CC(C)(C)c1nnc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)s1.
What is the InChIKey of 2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is VMQSFLDIXCIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4S2/c1-14(2,3)12-20-21-13(24-12)22-6-4-5-9(7-22)11-19-10(8-23-11)15(16,17)18/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole?
2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 376.47 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133402896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).