(4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C14H14F3N5OS — CID 119102260

IUPAC(4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H14F3N5OS/c1-9-12(24-8-20-9)13(23)22-4-2-21(3-5-22)11-6-10(14(15,16)17)18-7-19-11/h6-8H,2-5H2,1H3
InChIKeyQZILJFYPINUEQO-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.22
Rot. Bonds2

About (4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 119102260) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID119102260
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H14F3N5OS/c1-9-12(24-8-20-9)13(23)22-4-2-21(3-5-22)11-6-10(14(15,16)17)18-7-19-11/h6-8H,2-5H2,1H3
InChIKeyQZILJFYPINUEQO-UHFFFAOYSA-N
XLogP2.22
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Aminopyrimidin-4-yl)-4-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 90643549
2-methoxy-4-methyl-N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}-1,3-thiazole-5-carboxamide
CID 70765357
N-(2-((4-(dimethylamino)-6-methylpyrimidin-2-yl)amino)ethyl)-2,4-dimethylthiazole-5-carboxamide
CID 49676089
(4-Methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-thiomorpholin-4-ylmethanone
CID 47339145
(2-Methylthiazol-4-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631491
(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631588
(4-Methyl-1,2,3-thiadiazol-5-yl)(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631596
2-[1-[6-(Trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 68498893
N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 68498894
4-methyl-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 47324131
(4-Methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 56168533
4-Methyl-2-{4-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-1-piperazinyl}-6-(trifluoromethyl)pyrimidine
CID 70759340

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 119102260) is (4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1ncsc1C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is QZILJFYPINUEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c1-9-12(24-8-20-9)13(23)22-4-2-21(3-5-22)11-6-10(14(15,16)17)18-7-19-11/h6-8H,2-5H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 357.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 119102260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).