(4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C13H12F3N5OS — CID 84556925

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1scnc1C(F)(F)F)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H12F3N5OS/c14-13(15,16)10-9(23-8-19-10)11(22)20-4-6-21(7-5-20)12-17-2-1-3-18-12/h1-3,8H,4-7H2
InChIKeyDKARPTUJTIKQJH-UHFFFAOYSA-N
MW343.33 g/mol
LogP1.91
Rot. Bonds2

About (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 84556925) has the molecular formula C13H12F3N5OS and a molecular weight of 343.33 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID84556925
Molecular FormulaC13H12F3N5OS
Molecular Weight343.33 g/mol
Exact Mass343.07
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1scnc1C(F)(F)F)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H12F3N5OS/c14-13(15,16)10-9(23-8-19-10)11(22)20-4-6-21(7-5-20)12-17-2-1-3-18-12/h1-3,8H,4-7H2
InChIKeyDKARPTUJTIKQJH-UHFFFAOYSA-N
XLogP1.91
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 84556923
1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one
CID 84560090
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
2,2,3,3,4,4,4-heptafluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 3520236
1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
(4-pyrimidin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methanone
CID 29139690
(4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
CID 50800548
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950720
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 84556925) is (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1scnc1C(F)(F)F)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is DKARPTUJTIKQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5OS/c14-13(15,16)10-9(23-8-19-10)11(22)20-4-6-21(7-5-20)12-17-2-1-3-18-12/h1-3,8H,4-7H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 343.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 84556925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).