N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

C15H18F3N5OS — CID 154760200

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1cn[nH]c1
InChIInChI=1S/C15H18F3N5OS/c1-9(11-6-19-20-7-11)21-14(24)23-4-2-10(3-5-23)13-22-12(8-25-13)15(16,17)18/h6-10H,2-5H2,1H3,(H,19,20)(H,21,24)
InChIKeyJJUSVMQWOGXSEC-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.54
Rot. Bonds3

About N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 154760200) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID154760200
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1cn[nH]c1
InChIInChI=1S/C15H18F3N5OS/c1-9(11-6-19-20-7-11)21-14(24)23-4-2-10(3-5-23)13-22-12(8-25-13)15(16,17)18/h6-10H,2-5H2,1H3,(H,19,20)(H,21,24)
InChIKeyJJUSVMQWOGXSEC-UHFFFAOYSA-N
XLogP3.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 154760200) is N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is CC(NC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is JJUSVMQWOGXSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c1-9(11-6-19-20-7-11)21-14(24)23-4-2-10(3-5-23)13-22-12(8-25-13)15(16,17)18/h6-10H,2-5H2,1H3,(H,19,20)(H,21,24).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 154760200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).