2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

C21H20F3N5O2S — CID 55791212

IUPAC2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NC(CN3CCCC3=O)c3cccc(C(F)(F)F)c3)cs2)cn1
InChIInChI=1S/C21H20F3N5O2S/c1-28-10-14(9-25-28)20-27-17(12-32-20)19(31)26-16(11-29-7-3-6-18(29)30)13-4-2-5-15(8-13)21(22,23)24/h2,4-5,8-10,12,16H,3,6-7,11H2,1H3,(H,26,31)
InChIKeyDINCALPXWDIAGP-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.66
Rot. Bonds6

About 2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 55791212) has the molecular formula C21H20F3N5O2S and a molecular weight of 463.49 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID55791212
Molecular FormulaC21H20F3N5O2S
Molecular Weight463.49 g/mol
Exact Mass463.13
IUPAC Name2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NC(CN3CCCC3=O)c3cccc(C(F)(F)F)c3)cs2)cn1
InChIInChI=1S/C21H20F3N5O2S/c1-28-10-14(9-25-28)20-27-17(12-32-20)19(31)26-16(11-29-7-3-6-18(29)30)13-4-2-5-15(8-13)21(22,23)24/h2,4-5,8-10,12,16H,3,6-7,11H2,1H3,(H,26,31)
InChIKeyDINCALPXWDIAGP-UHFFFAOYSA-N
XLogP3.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (CID 55791212) is 2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NC(CN3CCCC3=O)c3cccc(C(F)(F)F)c3)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DINCALPXWDIAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2S/c1-28-10-14(9-25-28)20-27-17(12-32-20)19(31)26-16(11-29-7-3-6-18(29)30)13-4-2-5-15(8-13)21(22,23)24/h2,4-5,8-10,12,16H,3,6-7,11H2,1H3,(H,26,31).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55791212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).