5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C22H26FN5OS — CID 151577657

IUPAC5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1sc(-c2ccccc2F)nc1C(=O)Nc1cnn(C2CCNCC2)c1
InChIInChI=1S/C22H26FN5OS/c1-22(2,3)19-18(27-21(30-19)16-6-4-5-7-17(16)23)20(29)26-14-12-25-28(13-14)15-8-10-24-11-9-15/h4-7,12-13,15,24H,8-11H2,1-3H3,(H,26,29)
InChIKeyQFUJYWXWGNYNEI-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.62
Rot. Bonds4

About 5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 151577657) has the molecular formula C22H26FN5OS and a molecular weight of 427.55 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID151577657
Molecular FormulaC22H26FN5OS
Molecular Weight427.55 g/mol
Exact Mass427.18
IUPAC Name5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1sc(-c2ccccc2F)nc1C(=O)Nc1cnn(C2CCNCC2)c1
InChIInChI=1S/C22H26FN5OS/c1-22(2,3)19-18(27-21(30-19)16-6-4-5-7-17(16)23)20(29)26-14-12-25-28(13-14)15-8-10-24-11-9-15/h4-7,12-13,15,24H,8-11H2,1-3H3,(H,26,29)
InChIKeyQFUJYWXWGNYNEI-UHFFFAOYSA-N
XLogP4.62
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 151577657) is 5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(C)(C)c1sc(-c2ccccc2F)nc1C(=O)Nc1cnn(C2CCNCC2)c1.
What is the InChIKey of 5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QFUJYWXWGNYNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5OS/c1-22(2,3)19-18(27-21(30-19)16-6-4-5-7-17(16)23)20(29)26-14-12-25-28(13-14)15-8-10-24-11-9-15/h4-7,12-13,15,24H,8-11H2,1-3H3,(H,26,29).
What are the key properties of 5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-fluorophenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 151577657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).