2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole

C12H18F3N3S — CID 63342689

IUPAC2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCCCC(c1nc(C(F)(F)F)cs1)N1CCNCC1
InChIInChI=1S/C12H18F3N3S/c1-2-3-9(18-6-4-16-5-7-18)11-17-10(8-19-11)12(13,14)15/h8-9,16H,2-7H2,1H3
InChIKeyCGIRKUFZURLLKR-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.91
Rot. Bonds4

About 2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole

2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 63342689) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID63342689
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCCCC(c1nc(C(F)(F)F)cs1)N1CCNCC1
InChIInChI=1S/C12H18F3N3S/c1-2-3-9(18-6-4-16-5-7-18)11-17-10(8-19-11)12(13,14)15/h8-9,16H,2-7H2,1H3
InChIKeyCGIRKUFZURLLKR-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-piperazin-1-ylbutyl)-4-propyl-1,3-thiazole
CID 55203528
4-(4-bromothiophen-2-yl)-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 107354715
4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 63342177
5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole
CID 63342178
1-[(1R)-1-(3-chlorothiophen-2-yl)butyl]piperazine
CID 171288871
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166305
4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole
CID 63342212
1-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171165350
1-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171279095
1-[(1S)-1-(3,5-difluorophenyl)butyl]piperazine
CID 171164364
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166024
1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171172924

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole (CID 63342689) is 2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole is CCCC(c1nc(C(F)(F)F)cs1)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CGIRKUFZURLLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-2-3-9(18-6-4-16-5-7-18)11-17-10(8-19-11)12(13,14)15/h8-9,16H,2-7H2,1H3.
What are the key properties of 2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole?
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 293.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 63342689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).