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

C14H16F3N5S — CID 84593023

IUPAC4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H16F3N5S/c1-10-11(23-9-19-10)8-21-4-6-22(7-5-21)13-18-3-2-12(20-13)14(15,16)17/h2-3,9H,4-8H2,1H3
InChIKeyRMUBBGWJLRIJQE-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.58
Rot. Bonds3

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

4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 84593023) has the molecular formula C14H16F3N5S and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID84593023
Molecular FormulaC14H16F3N5S
Molecular Weight343.38 g/mol
Exact Mass343.11
IUPAC Name4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H16F3N5S/c1-10-11(23-9-19-10)8-21-4-6-22(7-5-21)13-18-3-2-12(20-13)14(15,16)17/h2-3,9H,4-8H2,1H3
InChIKeyRMUBBGWJLRIJQE-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole (CID 84593023) is 4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole is Cc1ncsc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is RMUBBGWJLRIJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5S/c1-10-11(23-9-19-10)8-21-4-6-22(7-5-21)13-18-3-2-12(20-13)14(15,16)17/h2-3,9H,4-8H2,1H3.
What are the key properties of 4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole?
4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-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 4-methyl-5-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 84593023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).