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

C16H13ClN2OS — CID 118713965

IUPAC4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol
SMILESCc1sc(Nc2ccc(O)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2OS/c1-10-15(11-2-4-12(17)5-3-11)19-16(21-10)18-13-6-8-14(20)9-7-13/h2-9,20H,1H3,(H,18,19)
InChIKeyAHRJWYGAVQRUDH-UHFFFAOYSA-N
MW316.81 g/mol
LogP5.22
Rot. Bonds3

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

4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol (PubChem CID 118713965) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol
PubChem CID118713965
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol
SMILESCc1sc(Nc2ccc(O)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2OS/c1-10-15(11-2-4-12(17)5-3-11)19-16(21-10)18-13-6-8-14(20)9-7-13/h2-9,20H,1H3,(H,18,19)
InChIKeyAHRJWYGAVQRUDH-UHFFFAOYSA-N
XLogP5.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.81
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol (CID 118713965) is 4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol is Cc1sc(Nc2ccc(O)cc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is AHRJWYGAVQRUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-10-15(11-2-4-12(17)5-3-11)19-16(21-10)18-13-6-8-14(20)9-7-13/h2-9,20H,1H3,(H,18,19).
What are the key properties of 4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol?
4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 316.81 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 118713965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).