2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

C15H18F3N5O2S — CID 97343992

IUPAC2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cn[nH]c1[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C15H18F3N5O2S/c1-25-7-12(24)20-10-5-19-22-13(10)9-3-2-4-23(6-9)14-21-11(8-26-14)15(16,17)18/h5,8-9H,2-4,6-7H2,1H3,(H,19,22)(H,20,24)/t9-/m0/s1
InChIKeyWZFWYVWDKGONTI-VIFPVBQESA-N
MW389.40 g/mol
LogP2.85
Rot. Bonds5

About 2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide

2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (PubChem CID 97343992) has the molecular formula C15H18F3N5O2S and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
PubChem CID97343992
Molecular FormulaC15H18F3N5O2S
Molecular Weight389.40 g/mol
Exact Mass389.11
IUPAC Name2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cn[nH]c1[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C15H18F3N5O2S/c1-25-7-12(24)20-10-5-19-22-13(10)9-3-2-4-23(6-9)14-21-11(8-26-14)15(16,17)18/h5,8-9H,2-4,6-7H2,1H3,(H,19,22)(H,20,24)/t9-/m0/s1
InChIKeyWZFWYVWDKGONTI-VIFPVBQESA-N
XLogP2.85
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75474520
N-[5-[1-(2-cyano-3-fluorophenyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 75474239
(3S)-3-[4-[(2-methoxyacetyl)amino]-1H-pyrazol-5-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 97343505
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide
CID 171327941
N-[5-[(3R)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 97344485
N-[5-[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343980
2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 133365893
N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide
CID 163351231
N-[5-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343986
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344338
N-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 75474205
(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 124595799

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (CID 97343992) is 2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is COCC(=O)Nc1cn[nH]c1[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The InChIKey is WZFWYVWDKGONTI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18F3N5O2S/c1-25-7-12(24)20-10-5-19-22-13(10)9-3-2-4-23(6-9)14-21-11(8-26-14)15(16,17)18/h5,8-9H,2-4,6-7H2,1H3,(H,19,22)(H,20,24)/t9-/m0/s1.
What are the key properties of 2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide has a molecular weight of 389.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 97343992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).