4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole

C14H16F3N5S — CID 95336098

IUPAC4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(c3nccc(C(F)(F)F)n3)C[C@@H]2C)n1
InChIInChI=1S/C14H16F3N5S/c1-9-8-23-13(19-9)22-6-5-21(7-10(22)2)12-18-4-3-11(20-12)14(15,16)17/h3-4,8,10H,5-7H2,1-2H3/t10-/m0/s1
InChIKeyFRNWZLSZOCPCGP-JTQLQIEISA-N
MW343.38 g/mol
LogP2.98
Rot. Bonds2

About 4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole

4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole (PubChem CID 95336098) has the molecular formula C14H16F3N5S and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
PubChem CID95336098
Molecular FormulaC14H16F3N5S
Molecular Weight343.38 g/mol
Exact Mass343.11
IUPAC Name4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(c3nccc(C(F)(F)F)n3)C[C@@H]2C)n1
InChIInChI=1S/C14H16F3N5S/c1-9-8-23-13(19-9)22-6-5-21(7-10(22)2)12-18-4-3-11(20-12)14(15,16)17/h3-4,8,10H,5-7H2,1-2H3/t10-/m0/s1
InChIKeyFRNWZLSZOCPCGP-JTQLQIEISA-N
XLogP2.98
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole with MolForge

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Related Compounds

2-[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
CID 75369788
2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
CID 97186315
2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 166068939
(2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 158105761
4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
CID 68936225
2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidine
CID 123999488
4-methyl-2-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-thiazole
CID 98761807
N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 72868639
4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
(3S)-3-methylsulfanyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 124590786
4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 84593023
2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 36615862

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole (CID 95336098) is 4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole is Cc1csc(N2CCN(c3nccc(C(F)(F)F)n3)C[C@@H]2C)n1.
What is the InChIKey of 4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is FRNWZLSZOCPCGP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F3N5S/c1-9-8-23-13(19-9)22-6-5-21(7-10(22)2)12-18-4-3-11(20-12)14(15,16)17/h3-4,8,10H,5-7H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 343.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 95336098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).