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

C20H16FN5OS — CID 71914954

IUPAC2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cn[nH]c1-c1ccccn1
InChIInChI=1S/C20H16FN5OS/c1-12-19(28-17(24-12)10-13-5-7-14(21)8-6-13)20(27)25-16-11-23-26-18(16)15-4-2-3-9-22-15/h2-9,11H,10H2,1H3,(H,23,26)(H,25,27)
InChIKeyXQHNOXFCYBJAQL-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.22
Rot. Bonds5

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

2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 71914954) has the molecular formula C20H16FN5OS and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID71914954
Molecular FormulaC20H16FN5OS
Molecular Weight393.45 g/mol
Exact Mass393.11
IUPAC Name2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cn[nH]c1-c1ccccn1
InChIInChI=1S/C20H16FN5OS/c1-12-19(28-17(24-12)10-13-5-7-14(21)8-6-13)20(27)25-16-11-23-26-18(16)15-4-2-3-9-22-15/h2-9,11H,10H2,1H3,(H,23,26)(H,25,27)
InChIKeyXQHNOXFCYBJAQL-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-carbamoyl-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 78869889
2-(4-fluorophenyl)-4-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164251
2-[(4-fluorophenyl)methyl]-4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899827
2-[(4-fluorophenyl)methyl]-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55650082
2-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55878596
2-methoxy-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 146124376
4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166192549
2-[(4-fluorophenyl)methyl]-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 55804818
2-[(4-fluorophenyl)methyl]-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 86825597
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
5-ethyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166234581
2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 91641589

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 71914954) is 2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cn[nH]c1-c1ccccn1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is XQHNOXFCYBJAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5OS/c1-12-19(28-17(24-12)10-13-5-7-14(21)8-6-13)20(27)25-16-11-23-26-18(16)15-4-2-3-9-22-15/h2-9,11H,10H2,1H3,(H,23,26)(H,25,27).
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71914954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).