methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate

C15H16F3N5O3S — CID 132554655

IUPACmethyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(NC(=O)c3cc(C(F)(F)F)[nH]n3)CC2)s1
InChIInChI=1S/C15H16F3N5O3S/c1-26-13(25)10-7-19-14(27-10)23-4-2-8(3-5-23)20-12(24)9-6-11(22-21-9)15(16,17)18/h6-8H,2-5H2,1H3,(H,20,24)(H,21,22)
InChIKeyMTTUKQWQOVJRCL-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.07
Rot. Bonds4

About methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate

methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 132554655) has the molecular formula C15H16F3N5O3S and a molecular weight of 403.39 g/mol. Its IUPAC name is methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID132554655
Molecular FormulaC15H16F3N5O3S
Molecular Weight403.39 g/mol
Exact Mass403.09
IUPAC Namemethyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(NC(=O)c3cc(C(F)(F)F)[nH]n3)CC2)s1
InChIInChI=1S/C15H16F3N5O3S/c1-26-13(25)10-7-19-14(27-10)23-4-2-8(3-5-23)20-12(24)9-6-11(22-21-9)15(16,17)18/h6-8H,2-5H2,1H3,(H,20,24)(H,21,22)
InChIKeyMTTUKQWQOVJRCL-UHFFFAOYSA-N
XLogP2.07
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate 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 methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate (CID 132554655) is methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCC(NC(=O)c3cc(C(F)(F)F)[nH]n3)CC2)s1.
What is the InChIKey of methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is MTTUKQWQOVJRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O3S/c1-26-13(25)10-7-19-14(27-10)23-4-2-8(3-5-23)20-12(24)9-6-11(22-21-9)15(16,17)18/h6-8H,2-5H2,1H3,(H,20,24)(H,21,22).
What are the key properties of methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate?
methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 403.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]piperidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 132554655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).