2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol

C15H11ClN2OS — CID 25100738

IUPAC2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccccc1Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H11ClN2OS/c16-11-7-5-10(6-8-11)13-9-20-15(18-13)17-12-3-1-2-4-14(12)19/h1-9,19H,(H,17,18)
InChIKeyRLOHGRPRQRYOFC-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.91
Rot. Bonds3

About 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 25100738) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID25100738
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESOc1ccccc1Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H11ClN2OS/c16-11-7-5-10(6-8-11)13-9-20-15(18-13)17-12-3-1-2-4-14(12)19/h1-9,19H,(H,17,18)
InChIKeyRLOHGRPRQRYOFC-UHFFFAOYSA-N
XLogP4.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol (CID 25100738) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol is Oc1ccccc1Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is RLOHGRPRQRYOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-11-7-5-10(6-8-11)13-9-20-15(18-13)17-12-3-1-2-4-14(12)19/h1-9,19H,(H,17,18).
What are the key properties of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol?
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 302.79 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 25100738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).