ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C24H30F3N5OS — CID 168890423

IUPACethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC.CC(C)N(C(=O)c1csc(-c2cnn(-c3ccccc3C(F)(F)F)c2)n1)C1CCNCC1
InChIInChI=1S/C22H24F3N5OS.C2H6/c1-14(2)30(16-7-9-26-10-8-16)21(31)18-13-32-20(28-18)15-11-27-29(12-15)19-6-4-3-5-17(19)22(23,24)25;1-2/h3-6,11-14,16,26H,7-10H2,1-2H3;1-2H3
InChIKeyFJPBGZUZDZLIJZ-UHFFFAOYSA-N
MW493.60 g/mol
LogP5.64
Rot. Bonds5

About ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 168890423) has the molecular formula C24H30F3N5OS and a molecular weight of 493.60 g/mol. Its IUPAC name is ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Nameethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID168890423
Molecular FormulaC24H30F3N5OS
Molecular Weight493.60 g/mol
Exact Mass493.21
IUPAC Nameethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC.CC(C)N(C(=O)c1csc(-c2cnn(-c3ccccc3C(F)(F)F)c2)n1)C1CCNCC1
InChIInChI=1S/C22H24F3N5OS.C2H6/c1-14(2)30(16-7-9-26-10-8-16)21(31)18-13-32-20(28-18)15-11-27-29(12-15)19-6-4-3-5-17(19)22(23,24)25;1-2/h3-6,11-14,16,26H,7-10H2,1-2H3;1-2H3
InChIKeyFJPBGZUZDZLIJZ-UHFFFAOYSA-N
XLogP5.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazol-4-yl]methanone
CID 168858628
[4-[methyl(propan-2-yl)amino]piperidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 168858604
ethane;2-(1-phenylpyrazol-4-yl)-N-propyl-N-sulfanyl-1,3-thiazole-4-carboxamide;pyrrolidine
CID 168890493
N-cyclopentyl-N-ethyl-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858531
N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119443831
N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858509
2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 176630308
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119553730
2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119537526
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 168858565
1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine
CID 117210977
N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 166298535

Frequently Asked Questions

What is the IUPAC name of ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 168890423) is ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is CC.CC(C)N(C(=O)c1csc(-c2cnn(-c3ccccc3C(F)(F)F)c2)n1)C1CCNCC1.
What is the InChIKey of ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FJPBGZUZDZLIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5OS.C2H6/c1-14(2)30(16-7-9-26-10-8-16)21(31)18-13-32-20(28-18)15-11-27-29(12-15)19-6-4-3-5-17(19)22(23,24)25;1-2/h3-6,11-14,16,26H,7-10H2,1-2H3;1-2H3.
What are the key properties of ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 493.60 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-piperidin-4-yl-N-propan-2-yl-2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 168890423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).