5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole

C12H17F3N2S — CID 58486393

IUPAC5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)c1sc(N2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2S/c1-11(2,3)9-8(12(13,14)15)16-10(18-9)17-6-4-5-7-17/h4-7H2,1-3H3
InChIKeyQJQHUBRXOLHTKH-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.06
Rot. Bonds1

About 5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole

5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 58486393) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID58486393
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)c1sc(N2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2S/c1-11(2,3)9-8(12(13,14)15)16-10(18-9)17-6-4-5-7-17/h4-7H2,1-3H3
InChIKeyQJQHUBRXOLHTKH-UHFFFAOYSA-N
XLogP4.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-Tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
CID 58486394
5-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 58486410
5-Tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 88877673
5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 143994940
1-[(2,2-Difluorocyclopropyl)methyl]-3-(5-ethyl-4-methyl-1,3-thiazol-2-yl)imidazolidin-2-one
CID 149922014
5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 170133924
5-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole
CID 56949852
4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767164
5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767314
4-tert-butyl-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767335
4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768001
4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768002

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole (CID 58486393) is 5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole is CC(C)(C)c1sc(N2CCCC2)nc1C(F)(F)F.
What is the InChIKey of 5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is QJQHUBRXOLHTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-11(2,3)9-8(12(13,14)15)16-10(18-9)17-6-4-5-7-17/h4-7H2,1-3H3.
What are the key properties of 5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 278.34 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 58486393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).