4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine

C15H15FN4S — CID 163998023

IUPAC4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
SMILESCC(C)(F)c1ccc(-c2csc(-c3cn[nH]c3N)n2)cc1
InChIInChI=1S/C15H15FN4S/c1-15(2,16)10-5-3-9(4-6-10)12-8-21-14(19-12)11-7-18-20-13(11)17/h3-8H,1-2H3,(H3,17,18,20)
InChIKeyUGKQHEAZEHDAFR-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.99
Rot. Bonds3

About 4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine

4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine (PubChem CID 163998023) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
PubChem CID163998023
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC Name4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
SMILESCC(C)(F)c1ccc(-c2csc(-c3cn[nH]c3N)n2)cc1
InChIInChI=1S/C15H15FN4S/c1-15(2,16)10-5-3-9(4-6-10)12-8-21-14(19-12)11-7-18-20-13(11)17/h3-8H,1-2H3,(H3,17,18,20)
InChIKeyUGKQHEAZEHDAFR-UHFFFAOYSA-N
XLogP3.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_B(1)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650205
4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650136
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 22831583
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650186
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine
CID 60650149
4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650164
4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117431686
4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
CID 117433991
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2741010
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
4-(5-amino-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde
CID 87898207

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine (CID 163998023) is 4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine is CC(C)(F)c1ccc(-c2csc(-c3cn[nH]c3N)n2)cc1.
What is the InChIKey of 4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The InChIKey is UGKQHEAZEHDAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c1-15(2,16)10-5-3-9(4-6-10)12-8-21-14(19-12)11-7-18-20-13(11)17/h3-8H,1-2H3,(H3,17,18,20).
What are the key properties of 4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine has a molecular weight of 302.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 163998023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).