3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide

C19H12F3N5OS — CID 118227494

IUPAC3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2c(F)cncc2F)s1
InChIInChI=1S/C19H12F3N5OS/c1-27-15(6-14(26-27)10-4-2-3-5-11(10)20)19-24-9-16(29-19)25-18(28)17-12(21)7-23-8-13(17)22/h2-9H,1H3,(H,25,28)
InChIKeyUAYFKMKMMIWDCZ-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.28
Rot. Bonds4

About 3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide

3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide (PubChem CID 118227494) has the molecular formula C19H12F3N5OS and a molecular weight of 415.40 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
PubChem CID118227494
Molecular FormulaC19H12F3N5OS
Molecular Weight415.40 g/mol
Exact Mass415.07
IUPAC Name3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2c(F)cncc2F)s1
InChIInChI=1S/C19H12F3N5OS/c1-27-15(6-14(26-27)10-4-2-3-5-11(10)20)19-24-9-16(29-19)25-18(28)17-12(21)7-23-8-13(17)22/h2-9H,1H3,(H,25,28)
InChIKeyUAYFKMKMMIWDCZ-UHFFFAOYSA-N
XLogP4.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide (CID 118227494) is 3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide is Cn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2c(F)cncc2F)s1.
What is the InChIKey of 3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The InChIKey is UAYFKMKMMIWDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5OS/c1-27-15(6-14(26-27)10-4-2-3-5-11(10)20)19-24-9-16(29-19)25-18(28)17-12(21)7-23-8-13(17)22/h2-9H,1H3,(H,25,28).
What are the key properties of 3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118227494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).