N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline

C24H18N4S — CID 58704082

IUPACN-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline
SMILESc1ccc(N(c2cccc(-c3nccs3)c2)c2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C24H18N4S/c1-2-8-20(9-3-1)28(22-11-4-7-19(17-22)24-25-14-16-29-24)23-12-5-10-21(18-23)27-15-6-13-26-27/h1-18H
InChIKeyRSSVXVKDJWRKMI-UHFFFAOYSA-N
MW394.50 g/mol
LogP6.47
Rot. Bonds5

About N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline

N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline (PubChem CID 58704082) has the molecular formula C24H18N4S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline
PubChem CID58704082
Molecular FormulaC24H18N4S
Molecular Weight394.50 g/mol
Exact Mass394.13
IUPAC NameN-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline
SMILESc1ccc(N(c2cccc(-c3nccs3)c2)c2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C24H18N4S/c1-2-8-20(9-3-1)28(22-11-4-7-19(17-22)24-25-14-16-29-24)23-12-5-10-21(18-23)27-15-6-13-26-27/h1-18H
InChIKeyRSSVXVKDJWRKMI-UHFFFAOYSA-N
XLogP6.47
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline (CID 58704082) is N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline is c1ccc(N(c2cccc(-c3nccs3)c2)c2cccc(-n3cccn3)c2)cc1.
What is the InChIKey of N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is RSSVXVKDJWRKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4S/c1-2-8-20(9-3-1)28(22-11-4-7-19(17-22)24-25-14-16-29-24)23-12-5-10-21(18-23)27-15-6-13-26-27/h1-18H.
What are the key properties of N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline?
N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 394.50 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(3-pyrazol-1-ylphenyl)-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 58704082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).