2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C20H16FN5OS — CID 11963001

IUPAC2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1-c1nc(C(=O)NCc2cccnc2)cs1
InChIInChI=1S/C20H16FN5OS/c1-12-17(18(26-25-12)14-4-6-15(21)7-5-14)20-24-16(11-28-20)19(27)23-10-13-3-2-8-22-9-13/h2-9,11H,10H2,1H3,(H,23,27)(H,25,26)
InChIKeyZHLXMURUOXKOSM-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.97
Rot. Bonds5

About 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 11963001) has the molecular formula C20H16FN5OS and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID11963001
Molecular FormulaC20H16FN5OS
Molecular Weight393.45 g/mol
Exact Mass393.11
IUPAC Name2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1-c1nc(C(=O)NCc2cccnc2)cs1
InChIInChI=1S/C20H16FN5OS/c1-12-17(18(26-25-12)14-4-6-15(21)7-5-14)20-24-16(11-28-20)19(27)23-10-13-3-2-8-22-9-13/h2-9,11H,10H2,1H3,(H,23,27)(H,25,26)
InChIKeyZHLXMURUOXKOSM-UHFFFAOYSA-N
XLogP3.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 11963001) is 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1[nH]nc(-c2ccc(F)cc2)c1-c1nc(C(=O)NCc2cccnc2)cs1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZHLXMURUOXKOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5OS/c1-12-17(18(26-25-12)14-4-6-15(21)7-5-14)20-24-16(11-28-20)19(27)23-10-13-3-2-8-22-9-13/h2-9,11H,10H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11963001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).