4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole

C10H14F3N3S — CID 123422195

IUPAC4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)sc1N1CCNC(C)C1
InChIInChI=1S/C10H14F3N3S/c1-6-5-16(4-3-14-6)8-7(2)15-9(17-8)10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyXFVCHPCULSGKHY-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.27
Rot. Bonds1

About 4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole

4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 123422195) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID123422195
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)sc1N1CCNC(C)C1
InChIInChI=1S/C10H14F3N3S/c1-6-5-16(4-3-14-6)8-7(2)15-9(17-8)10(11,12)13/h6,14H,3-5H2,1-2H3
InChIKeyXFVCHPCULSGKHY-UHFFFAOYSA-N
XLogP2.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 123422195) is 4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)sc1N1CCNC(C)C1.
What is the InChIKey of 4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XFVCHPCULSGKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-6-5-16(4-3-14-6)8-7(2)15-9(17-8)10(11,12)13/h6,14H,3-5H2,1-2H3.
What are the key properties of 4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 265.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 123422195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).