3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

C22H20FN5OS — CID 176859886

IUPAC3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cccc(-c2csc(NC(=O)c3cn(C(C)C)nc3-c3ccccc3F)n2)n1
InChIInChI=1S/C22H20FN5OS/c1-13(2)28-11-16(20(27-28)15-8-4-5-9-17(15)23)21(29)26-22-25-19(12-30-22)18-10-6-7-14(3)24-18/h4-13H,1-3H3,(H,25,26,29)
InChIKeyABXWJXYPGWKYTF-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.35
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 176859886) has the molecular formula C22H20FN5OS and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID176859886
Molecular FormulaC22H20FN5OS
Molecular Weight421.50 g/mol
Exact Mass421.14
IUPAC Name3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cccc(-c2csc(NC(=O)c3cn(C(C)C)nc3-c3ccccc3F)n2)n1
InChIInChI=1S/C22H20FN5OS/c1-13(2)28-11-16(20(27-28)15-8-4-5-9-17(15)23)21(29)26-22-25-19(12-30-22)18-10-6-7-14(3)24-18/h4-13H,1-3H3,(H,25,26,29)
InChIKeyABXWJXYPGWKYTF-UHFFFAOYSA-N
XLogP5.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 176859024
3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 86948216
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 39804997
1-benzyl-5-chloro-3-methyl-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 176858961
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769
2-(3-methoxyphenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859049
2-(4-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176859934
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 176859886) is 3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide is Cc1cccc(-c2csc(NC(=O)c3cn(C(C)C)nc3-c3ccccc3F)n2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ABXWJXYPGWKYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5OS/c1-13(2)28-11-16(20(27-28)15-8-4-5-9-17(15)23)21(29)26-22-25-19(12-30-22)18-10-6-7-14(3)24-18/h4-13H,1-3H3,(H,25,26,29).
What are the key properties of 3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 176859886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).