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

C13H12N4OS — CID 60650186

IUPAC4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
SMILESCOc1cccc(-c2csc(-c3cn[nH]c3N)n2)c1
InChIInChI=1S/C13H12N4OS/c1-18-9-4-2-3-8(5-9)11-7-19-13(16-11)10-6-15-17-12(10)14/h2-7H,1H3,(H3,14,15,17)
InChIKeyZRIUEAHLTYNCIP-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.79
Rot. Bonds3

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

4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine (PubChem CID 60650186) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
PubChem CID60650186
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
SMILESCOc1cccc(-c2csc(-c3cn[nH]c3N)n2)c1
InChIInChI=1S/C13H12N4OS/c1-18-9-4-2-3-8(5-9)11-7-19-13(16-11)10-6-15-17-12(10)14/h2-7H,1H3,(H3,14,15,17)
InChIKeyZRIUEAHLTYNCIP-UHFFFAOYSA-N
XLogP2.79
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650164
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine
CID 56829048
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 22831583
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
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 46246000
4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 163998023
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine
CID 60650149
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 978094
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
dimethyl 4-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 70415150

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine (CID 60650186) is 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine is COc1cccc(-c2csc(-c3cn[nH]c3N)n2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The InChIKey is ZRIUEAHLTYNCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-18-9-4-2-3-8(5-9)11-7-19-13(16-11)10-6-15-17-12(10)14/h2-7H,1H3,(H3,14,15,17).
What are the key properties of 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine has a molecular weight of 272.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 60650186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).