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

C16H11FN6OS2 — CID 56848301

IUPAC3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2ncccc2F)s1
InChIInChI=1S/C16H11FN6OS2/c1-23-11(7-10(22-23)15-19-5-6-25-15)12-8-20-16(26-12)21-14(24)13-9(17)3-2-4-18-13/h2-8H,1H3,(H,20,21,24)
InChIKeyQKHRCHPGUSOSTF-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.45
Rot. Bonds4

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

3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 56848301) has the molecular formula C16H11FN6OS2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID56848301
Molecular FormulaC16H11FN6OS2
Molecular Weight386.44 g/mol
Exact Mass386.04
IUPAC Name3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2ncccc2F)s1
InChIInChI=1S/C16H11FN6OS2/c1-23-11(7-10(22-23)15-19-5-6-25-15)12-8-20-16(26-12)21-14(24)13-9(17)3-2-4-18-13/h2-8H,1H3,(H,20,21,24)
InChIKeyQKHRCHPGUSOSTF-UHFFFAOYSA-N
XLogP3.45
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 56848301) is 3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is Cn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2ncccc2F)s1.
What is the InChIKey of 3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is QKHRCHPGUSOSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6OS2/c1-23-11(7-10(22-23)15-19-5-6-25-15)12-8-20-16(26-12)21-14(24)13-9(17)3-2-4-18-13/h2-8H,1H3,(H,20,21,24).
What are the key properties of 3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 56848301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).