N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

C15H18F3N5OS — CID 166229995

IUPACN-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCCC(c3nc(C(F)(F)F)cs3)C2)n[nH]1
InChIInChI=1S/C15H18F3N5OS/c1-9-5-11(22-21-9)6-19-14(24)23-4-2-3-10(7-23)13-20-12(8-25-13)15(16,17)18/h5,8,10H,2-4,6-7H2,1H3,(H,19,24)(H,21,22)
InChIKeyNIYHQQUUMRDTCZ-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.28
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 166229995) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID166229995
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCCC(c3nc(C(F)(F)F)cs3)C2)n[nH]1
InChIInChI=1S/C15H18F3N5OS/c1-9-5-11(22-21-9)6-19-14(24)23-4-2-3-10(7-23)13-20-12(8-25-13)15(16,17)18/h5,8,10H,2-4,6-7H2,1H3,(H,19,24)(H,21,22)
InChIKeyNIYHQQUUMRDTCZ-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 166229995) is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is Cc1cc(CNC(=O)N2CCCC(c3nc(C(F)(F)F)cs3)C2)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is NIYHQQUUMRDTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c1-9-5-11(22-21-9)6-19-14(24)23-4-2-3-10(7-23)13-20-12(8-25-13)15(16,17)18/h5,8,10H,2-4,6-7H2,1H3,(H,19,24)(H,21,22).
What are the key properties of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 166229995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).