1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine

C13H11FN4S — CID 126850275

IUPAC1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H11FN4S/c1-8-6-12(15)17-18(8)13-16-11(7-19-13)9-2-4-10(14)5-3-9/h2-7H,1H3,(H2,15,17)
InChIKeyDGQIMHPDWDNOFY-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.03
Rot. Bonds2

About 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine (PubChem CID 126850275) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine
PubChem CID126850275
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H11FN4S/c1-8-6-12(15)17-18(8)13-16-11(7-19-13)9-2-4-10(14)5-3-9/h2-7H,1H3,(H2,15,17)
InChIKeyDGQIMHPDWDNOFY-UHFFFAOYSA-N
XLogP3.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829
N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
CID 1490007
4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-amine
CID 1472862
methyl 5-amino-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]triazole-4-carboxylate
CID 94962515
4-(4-fluorophenyl)-2-[3-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 1498306
4-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 166227981
tricopper;tetrakis(2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1,3-thiazole);hexanitrate
CID 139176827
1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 133372230
1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)pyrazol-5-amine
CID 6917195
2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide
CID 53045303
(3S)-1-(4-fluorophenyl)-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 25281799

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine (CID 126850275) is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1-c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine?
The InChIKey is DGQIMHPDWDNOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S/c1-8-6-12(15)17-18(8)13-16-11(7-19-13)9-2-4-10(14)5-3-9/h2-7H,1H3,(H2,15,17).
What are the key properties of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine?
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine has a molecular weight of 274.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 126850275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).