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

C14H14N4OS — CID 60650136

IUPAC4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
SMILESCCOc1ccc(-c2csc(-c3cn[nH]c3N)n2)cc1
InChIInChI=1S/C14H14N4OS/c1-2-19-10-5-3-9(4-6-10)12-8-20-14(17-12)11-7-16-18-13(11)15/h3-8H,2H2,1H3,(H3,15,16,18)
InChIKeyMVMPSPZCGUPZKG-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.18
Rot. Bonds4

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

4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine (PubChem CID 60650136) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
PubChem CID60650136
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
SMILESCCOc1ccc(-c2csc(-c3cn[nH]c3N)n2)cc1
InChIInChI=1S/C14H14N4OS/c1-2-19-10-5-3-9(4-6-10)12-8-20-14(17-12)11-7-16-18-13(11)15/h3-8H,2H2,1H3,(H3,15,16,18)
InChIKeyMVMPSPZCGUPZKG-UHFFFAOYSA-N
XLogP3.18
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.18
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-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 163998023
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650186
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-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
CID 79518693
4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole
CID 2442244
4-(4-ethoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967744
[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazine;hydrobromide
CID 171114823
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine
CID 60650149
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 53034207
diethyl 4-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 21296666

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine (CID 60650136) is 4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine is CCOc1ccc(-c2csc(-c3cn[nH]c3N)n2)cc1.
What is the InChIKey of 4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
The InChIKey is MVMPSPZCGUPZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-2-19-10-5-3-9(4-6-10)12-8-20-14(17-12)11-7-16-18-13(11)15/h3-8H,2H2,1H3,(H3,15,16,18).
What are the key properties of 4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine?
4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine has a molecular weight of 286.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 60650136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).