4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine

C21H15ClN2OS — CID 2058278

IUPAC4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H15ClN2OS/c22-16-8-6-15(7-9-16)20-14-26-21(24-20)23-17-10-12-19(13-11-17)25-18-4-2-1-3-5-18/h1-14H,(H,23,24)
InChIKeyNDCHOZNNVSQVJC-UHFFFAOYSA-N
MW378.88 g/mol
LogP7.00
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 2058278) has the molecular formula C21H15ClN2OS and a molecular weight of 378.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
PubChem CID2058278
Molecular FormulaC21H15ClN2OS
Molecular Weight378.88 g/mol
Exact Mass378.06
IUPAC Name4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C21H15ClN2OS/c22-16-8-6-15(7-9-16)20-14-26-21(24-20)23-17-10-12-19(13-11-17)25-18-4-2-1-3-5-18/h1-14H,(H,23,24)
InChIKeyNDCHOZNNVSQVJC-UHFFFAOYSA-N
XLogP7.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine (CID 2058278) is 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is NDCHOZNNVSQVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2OS/c22-16-8-6-15(7-9-16)20-14-26-21(24-20)23-17-10-12-19(13-11-17)25-18-4-2-1-3-5-18/h1-14H,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 378.88 g/mol, XLogP of 7.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2058278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).