2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole

C14H17F3N4S — CID 155985537

IUPAC2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC(c3cc(C(F)(F)F)n[nH]3)CC2)cs1
InChIInChI=1S/C14H17F3N4S/c1-9-18-11(8-22-9)7-21-4-2-10(3-5-21)12-6-13(20-19-12)14(15,16)17/h6,8,10H,2-5,7H2,1H3,(H,19,20)
InChIKeyTWBCMAVWETZSNW-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.57
Rot. Bonds3

About 2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 155985537) has the molecular formula C14H17F3N4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID155985537
Molecular FormulaC14H17F3N4S
Molecular Weight330.38 g/mol
Exact Mass330.11
IUPAC Name2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC(c3cc(C(F)(F)F)n[nH]3)CC2)cs1
InChIInChI=1S/C14H17F3N4S/c1-9-18-11(8-22-9)7-21-4-2-10(3-5-21)12-6-13(20-19-12)14(15,16)17/h6,8,10H,2-5,7H2,1H3,(H,19,20)
InChIKeyTWBCMAVWETZSNW-UHFFFAOYSA-N
XLogP3.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 155985537) is 2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCC(c3cc(C(F)(F)F)n[nH]3)CC2)cs1.
What is the InChIKey of 2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is TWBCMAVWETZSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4S/c1-9-18-11(8-22-9)7-21-4-2-10(3-5-21)12-6-13(20-19-12)14(15,16)17/h6,8,10H,2-5,7H2,1H3,(H,19,20).
What are the key properties of 2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 330.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 155985537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).