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

C16H15FN4OS — CID 11962962

IUPACN-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C)n1
InChIInChI=1S/C16H15FN4OS/c1-3-18-15(22)12-8-23-16(19-12)13-9(2)20-21-14(13)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyZHNNVKIZKAHWLB-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.40
Rot. Bonds4

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

N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 11962962) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID11962962
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC NameN-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C)n1
InChIInChI=1S/C16H15FN4OS/c1-3-18-15(22)12-8-23-16(19-12)13-9(2)20-21-14(13)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyZHNNVKIZKAHWLB-UHFFFAOYSA-N
XLogP3.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 70692368
(2S)-N-[2-oxo-5-(1H-pyrazol-5-yl)-1H-pyridin-3-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 136232856
(R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazol-1-yl)propyl)-2-(cyanomethyl)thiazole-4-carboxamide
CID 67171219
US11046713, Example 222
CID 162370689
N-[(3-fluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49778128
N-[(4-fluorophenyl)methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49790776
N-(3,5-dimethylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrole-3-sulfonamide
CID 53037062
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
CID 122190961
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 42956259
N-[(3,4-difluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49790374
3-(4-fluorophenyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-pyrazole-5-carboxamide
CID 70753029
N-((2-(2-fluorophenyl)-4-methylthiazol-5-yl)methyl)-1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 71795544

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 11962962) is N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C)n1.
What is the InChIKey of N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZHNNVKIZKAHWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-3-18-15(22)12-8-23-16(19-12)13-9(2)20-21-14(13)10-4-6-11(17)7-5-10/h4-8H,3H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11962962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).