4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine

C18H15FN6OS — CID 56644074

IUPAC4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1-c1[nH]ncc1-c1csc(Nc2nccc(C)n2)n1
InChIInChI=1S/C18H15FN6OS/c1-10-5-6-20-17(22-10)24-18-23-14(9-27-18)13-8-21-25-16(13)12-7-11(19)3-4-15(12)26-2/h3-9H,1-2H3,(H,21,25)(H,20,22,23,24)
InChIKeyFMUCTGVOXDXPNP-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.19
Rot. Bonds5

About 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine

4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 56644074) has the molecular formula C18H15FN6OS and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID56644074
Molecular FormulaC18H15FN6OS
Molecular Weight382.42 g/mol
Exact Mass382.10
IUPAC Name4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1-c1[nH]ncc1-c1csc(Nc2nccc(C)n2)n1
InChIInChI=1S/C18H15FN6OS/c1-10-5-6-20-17(22-10)24-18-23-14(9-27-18)13-8-21-25-16(13)12-7-11(19)3-4-15(12)26-2/h3-9H,1-2H3,(H,21,25)(H,20,22,23,24)
InChIKeyFMUCTGVOXDXPNP-UHFFFAOYSA-N
XLogP4.19
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-Methoxy-3-methyl-phenyl)-thiazol-2-yl]-pyrimidin-2-yl-amine
CID 695894
methyl 4-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl ether
CID 1481752
N-(6-methoxy-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 46836635
N-[(2-methoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522329
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474438
US11014929, Example 21
CID 134326340
N-[(4-fluoro-3-methoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 45166739
7-(2-Fluoro-4-methoxyphenyl)-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 71703186
N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 70782384
7-(4-Fluoro-2-methoxyphenyl)-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 71702658
4-(4-methoxyphenyl)-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methyleneamino]thiazol-2-amine
CID 86580310
4-(4-methoxyphenyl)-2-[4-(2H-tetrazol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 122189490

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine (CID 56644074) is 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine is COc1ccc(F)cc1-c1[nH]ncc1-c1csc(Nc2nccc(C)n2)n1.
What is the InChIKey of 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is FMUCTGVOXDXPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6OS/c1-10-5-6-20-17(22-10)24-18-23-14(9-27-18)13-8-21-25-16(13)12-7-11(19)3-4-15(12)26-2/h3-9H,1-2H3,(H,21,25)(H,20,22,23,24).
What are the key properties of 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 382.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 56644074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).