5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C16H15F2N5OS — CID 53482900

IUPAC5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1
InChIInChI=1S/C16H15F2N5OS/c1-8(2)23-7-9(6-20-23)21-15(24)13-14(19)25-16(22-13)12-10(17)4-3-5-11(12)18/h3-8H,19H2,1-2H3,(H,21,24)
InChIKeyGMHYODJESCKGOU-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.70
Rot. Bonds4

About 5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53482900) has the molecular formula C16H15F2N5OS and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID53482900
Molecular FormulaC16H15F2N5OS
Molecular Weight363.39 g/mol
Exact Mass363.10
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1
InChIInChI=1S/C16H15F2N5OS/c1-8(2)23-7-9(6-20-23)21-15(24)13-14(19)25-16(22-13)12-10(17)4-3-5-11(12)18/h3-8H,19H2,1-2H3,(H,21,24)
InChIKeyGMHYODJESCKGOU-UHFFFAOYSA-N
XLogP3.70
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 53482900) is 5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(C)n1cc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cn1.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GMHYODJESCKGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5OS/c1-8(2)23-7-9(6-20-23)21-15(24)13-14(19)25-16(22-13)12-10(17)4-3-5-11(12)18/h3-8H,19H2,1-2H3,(H,21,24).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53482900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).