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

C14H16F3N5OS — CID 97343916

IUPACN-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C14H16F3N5OS/c1-8(23)19-10-5-18-21-12(10)9-3-2-4-22(6-9)13-20-11(7-24-13)14(15,16)17/h5,7,9H,2-4,6H2,1H3,(H,18,21)(H,19,23)/t9-/m0/s1
InChIKeyJSNHLHABTBJSFX-VIFPVBQESA-N
MW359.38 g/mol
LogP3.23
Rot. Bonds3

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

N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (PubChem CID 97343916) has the molecular formula C14H16F3N5OS and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
PubChem CID97343916
Molecular FormulaC14H16F3N5OS
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC NameN-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cn[nH]c1[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C14H16F3N5OS/c1-8(23)19-10-5-18-21-12(10)9-3-2-4-22(6-9)13-20-11(7-24-13)14(15,16)17/h5,7,9H,2-4,6H2,1H3,(H,18,21)(H,19,23)/t9-/m0/s1
InChIKeyJSNHLHABTBJSFX-VIFPVBQESA-N
XLogP3.23
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide (CID 97343916) is 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 N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is CC(=O)Nc1cn[nH]c1[C@H]1CCCN(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
The InChIKey is JSNHLHABTBJSFX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F3N5OS/c1-8(23)19-10-5-18-21-12(10)9-3-2-4-22(6-9)13-20-11(7-24-13)14(15,16)17/h5,7,9H,2-4,6H2,1H3,(H,18,21)(H,19,23)/t9-/m0/s1.
What are the key properties of N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide?
N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide has a molecular weight of 359.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 97343916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).