4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol

C19H16N4OS — CID 58910928

IUPAC4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol
SMILESCc1c(-c2csc(Nc3ccc(O)cc3)n2)cnn1-c1ccccc1
InChIInChI=1S/C19H16N4OS/c1-13-17(11-20-23(13)15-5-3-2-4-6-15)18-12-25-19(22-18)21-14-7-9-16(24)10-8-14/h2-12,24H,1H3,(H,21,22)
InChIKeyONBUBUACLYDURG-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.75
Rot. Bonds4

About 4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol

4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 58910928) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID58910928
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol
SMILESCc1c(-c2csc(Nc3ccc(O)cc3)n2)cnn1-c1ccccc1
InChIInChI=1S/C19H16N4OS/c1-13-17(11-20-23(13)15-5-3-2-4-6-15)18-12-25-19(22-18)21-14-7-9-16(24)10-8-14/h2-12,24H,1H3,(H,21,22)
InChIKeyONBUBUACLYDURG-UHFFFAOYSA-N
XLogP4.75
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indazol-4-yl)-4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 58911051
N-ethyl-4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1,3-thiazol-2-amine
CID 82528750
2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
CID 139235210
4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528304
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
CID 2866860
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 126613345
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
4-[[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 87078168
3-(2-anilino-1,3-thiazol-4-yl)-7-hydroxychromen-2-one
CID 5405778
4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide
CID 71566348

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol (CID 58910928) is 4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol is Cc1c(-c2csc(Nc3ccc(O)cc3)n2)cnn1-c1ccccc1.
What is the InChIKey of 4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is ONBUBUACLYDURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-17(11-20-23(13)15-5-3-2-4-6-15)18-12-25-19(22-18)21-14-7-9-16(24)10-8-14/h2-12,24H,1H3,(H,21,22).
What are the key properties of 4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 348.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 58910928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).