2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole

C10H14F3N3S — CID 120965789

IUPAC2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CN2CCNCC2)s1
InChIInChI=1S/C10H14F3N3S/c1-7-15-9(10(11,12)13)8(17-7)6-16-4-2-14-3-5-16/h14H,2-6H2,1H3
InChIKeyFQHZAPARPKDPSS-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.88
Rot. Bonds2

About 2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole

2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 120965789) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID120965789
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CN2CCNCC2)s1
InChIInChI=1S/C10H14F3N3S/c1-7-15-9(10(11,12)13)8(17-7)6-16-4-2-14-3-5-16/h14H,2-6H2,1H3
InChIKeyFQHZAPARPKDPSS-UHFFFAOYSA-N
XLogP1.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl((4-methyl-2-propyl-1,3-thiazol-5-yl)methyl)amine
CID 62402846
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3,3,3-trifluoropropan-1-amine
CID 71868855
(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-ethylpiperidin-3-amine
CID 95135079
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 121554106
(2-Methyl-4-(trifluoromethyl)thiazol-5-yl)methanamine
CID 53302302
4-Thiazolemethanamine, 2-methyl-5-(trifluoromethyl)-
CID 90018699
4-Methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 123422195
[4-(Fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 135163593
5-(2,6-Diazaspiro[3.3]heptan-2-ylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 168205088
5-Methyl-2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 169691822
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200482
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 46785223

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole (CID 120965789) is 2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)c(CN2CCNCC2)s1.
What is the InChIKey of 2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FQHZAPARPKDPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-7-15-9(10(11,12)13)8(17-7)6-16-4-2-14-3-5-16/h14H,2-6H2,1H3.
What are the key properties of 2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole?
2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 265.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 120965789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).