2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole

C12H14F3N5S — CID 90054393

IUPAC2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESCN1CCN(c2ncc(-c3ncc(C(F)(F)F)[nH]3)s2)CC1
InChIInChI=1S/C12H14F3N5S/c1-19-2-4-20(5-3-19)11-17-6-8(21-11)10-16-7-9(18-10)12(13,14)15/h6-7H,2-5H2,1H3,(H,16,18)
InChIKeyFSNZWMVJFVRVJH-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.30
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole

2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (PubChem CID 90054393) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
PubChem CID90054393
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC Name2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
SMILESCN1CCN(c2ncc(-c3ncc(C(F)(F)F)[nH]3)s2)CC1
InChIInChI=1S/C12H14F3N5S/c1-19-2-4-20(5-3-19)11-17-6-8(21-11)10-16-7-9(18-10)12(13,14)15/h6-7H,2-5H2,1H3,(H,16,18)
InChIKeyFSNZWMVJFVRVJH-UHFFFAOYSA-N
XLogP2.30
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole (CID 90054393) is 2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is CN1CCN(c2ncc(-c3ncc(C(F)(F)F)[nH]3)s2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
The InChIKey is FSNZWMVJFVRVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-19-2-4-20(5-3-19)11-17-6-8(21-11)10-16-7-9(18-10)12(13,14)15/h6-7H,2-5H2,1H3,(H,16,18).
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole?
2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole has a molecular weight of 317.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 90054393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).