5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine

C6H4BrFN4S — CID 165492540

IUPAC5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ncsc2Br)c1F
InChIInChI=1S/C6H4BrFN4S/c7-5-4(10-1-13-5)3-2(8)6(9)12-11-3/h1H,(H3,9,11,12)
InChIKeyIJICXUGJWLCXRI-UHFFFAOYSA-N
MW263.09 g/mol
LogP2.02
Rot. Bonds1

About 5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine

5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine (PubChem CID 165492540) has the molecular formula C6H4BrFN4S and a molecular weight of 263.09 g/mol. Its IUPAC name is 5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine
PubChem CID165492540
Molecular FormulaC6H4BrFN4S
Molecular Weight263.09 g/mol
Exact Mass261.93
IUPAC Name5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ncsc2Br)c1F
InChIInChI=1S/C6H4BrFN4S/c7-5-4(10-1-13-5)3-2(8)6(9)12-11-3/h1H,(H3,9,11,12)
InChIKeyIJICXUGJWLCXRI-UHFFFAOYSA-N
XLogP2.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine
CID 164653963
5-(2-bromo-6-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499401
4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine
CID 165492530
5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499403
5-(2,3-difluorophenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499340
5-bromo-4-pyridin-3-yl-1,3-thiazole
CID 66520118
5-(3-bromothiophen-2-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 63798283
1H-pyrazolo[3,4-f][1,3]benzothiazol-3-amine
CID 89383797
5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole
CID 164654032
4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 83913416
5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole
CID 82135048
5-(4,5-dibromothiophen-2-yl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 80535112

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine (CID 165492540) is 5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ncsc2Br)c1F.
What is the InChIKey of 5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine?
The InChIKey is IJICXUGJWLCXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN4S/c7-5-4(10-1-13-5)3-2(8)6(9)12-11-3/h1H,(H3,9,11,12).
What are the key properties of 5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine?
5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine has a molecular weight of 263.09 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine is sourced from PubChem (CID 165492540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).