2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

C17H12FN5OS2 — CID 56848348

IUPAC2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C17H12FN5OS2/c1-23-13(8-12(22-23)16-19-6-7-25-16)14-9-20-17(26-14)21-15(24)10-4-2-3-5-11(10)18/h2-9H,1H3,(H,20,21,24)
InChIKeyLJINEVLPBQNECR-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.06
Rot. Bonds4

About 2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56848348) has the molecular formula C17H12FN5OS2 and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID56848348
Molecular FormulaC17H12FN5OS2
Molecular Weight385.45 g/mol
Exact Mass385.05
IUPAC Name2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C17H12FN5OS2/c1-23-13(8-12(22-23)16-19-6-7-25-16)14-9-20-17(26-14)21-15(24)10-4-2-3-5-11(10)18/h2-9H,1H3,(H,20,21,24)
InChIKeyLJINEVLPBQNECR-UHFFFAOYSA-N
XLogP4.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 56848348) is 2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is Cn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is LJINEVLPBQNECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5OS2/c1-23-13(8-12(22-23)16-19-6-7-25-16)14-9-20-17(26-14)21-15(24)10-4-2-3-5-11(10)18/h2-9H,1H3,(H,20,21,24).
What are the key properties of 2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 385.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56848348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).