N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine

C17H14N4OS — CID 20587771

IUPACN-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine
SMILESCOc1ccc(Nc2nc3n[nH]c(-c4ccccc4)c3s2)cc1
InChIInChI=1S/C17H14N4OS/c1-22-13-9-7-12(8-10-13)18-17-19-16-15(23-17)14(20-21-16)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyYDJJIFNMEUZJAU-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.44
Rot. Bonds4

About N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine

N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine (PubChem CID 20587771) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine
PubChem CID20587771
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine
SMILESCOc1ccc(Nc2nc3n[nH]c(-c4ccccc4)c3s2)cc1
InChIInChI=1S/C17H14N4OS/c1-22-13-9-7-12(8-10-13)18-17-19-16-15(23-17)14(20-21-16)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyYDJJIFNMEUZJAU-UHFFFAOYSA-N
XLogP4.44
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
5-(4-methoxyphenyl)-4-methyl-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride
CID 23276031
3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
CID 102425379
3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 19082673
4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 53307036
2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol
CID 14700312
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
2-(4-methoxyanilino)-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 10851198
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
4-ethyl-2-(4-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 82065160
5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
CID 132505617

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine (CID 20587771) is N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine is COc1ccc(Nc2nc3n[nH]c(-c4ccccc4)c3s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine?
The InChIKey is YDJJIFNMEUZJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-22-13-9-7-12(8-10-13)18-17-19-16-15(23-17)14(20-21-16)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,19,20,21).
What are the key properties of N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine?
N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine has a molecular weight of 322.39 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 20587771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).