2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole

C14H16F3N5S — CID 171333791

IUPAC2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cnc(N2CCN(Cc3nc(C(F)(F)F)cs3)CC2)nc1
InChIInChI=1S/C14H16F3N5S/c1-10-6-18-13(19-7-10)22-4-2-21(3-5-22)8-12-20-11(9-23-12)14(15,16)17/h6-7,9H,2-5,8H2,1H3
InChIKeyKGCAQAKZQKZRON-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.58
Rot. Bonds3

About 2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole

2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 171333791) has the molecular formula C14H16F3N5S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID171333791
Molecular FormulaC14H16F3N5S
Molecular Weight343.38 g/mol
Exact Mass343.11
IUPAC Name2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1cnc(N2CCN(Cc3nc(C(F)(F)F)cs3)CC2)nc1
InChIInChI=1S/C14H16F3N5S/c1-10-6-18-13(19-7-10)22-4-2-21(3-5-22)8-12-20-11(9-23-12)14(15,16)17/h6-7,9H,2-5,8H2,1H3
InChIKeyKGCAQAKZQKZRON-UHFFFAOYSA-N
XLogP2.58
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole (CID 171333791) is 2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole is Cc1cnc(N2CCN(Cc3nc(C(F)(F)F)cs3)CC2)nc1.
What is the InChIKey of 2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is KGCAQAKZQKZRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5S/c1-10-6-18-13(19-7-10)22-4-2-21(3-5-22)8-12-20-11(9-23-12)14(15,16)17/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 343.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 171333791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).