4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol

C17H17N3OS — CID 2214012

IUPAC4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol
SMILESCN(C)c1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C17H17N3OS/c1-20(2)14-7-5-13(6-8-14)18-17-19-16(11-22-17)12-3-9-15(21)10-4-12/h3-11,21H,1-2H3,(H,18,19)
InChIKeyPZGHMUVSZJIJPO-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.33
Rot. Bonds4

About 4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol

4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol (PubChem CID 2214012) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol
PubChem CID2214012
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol
SMILESCN(C)c1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C17H17N3OS/c1-20(2)14-7-5-13(6-8-14)18-17-19-16(11-22-17)12-3-9-15(21)10-4-12/h3-11,21H,1-2H3,(H,18,19)
InChIKeyPZGHMUVSZJIJPO-UHFFFAOYSA-N
XLogP4.33
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol?
The IUPAC name of 4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol (CID 2214012) is 4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol is CN(C)c1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1.
What is the InChIKey of 4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol?
The InChIKey is PZGHMUVSZJIJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-20(2)14-7-5-13(6-8-14)18-17-19-16(11-22-17)12-3-9-15(21)10-4-12/h3-11,21H,1-2H3,(H,18,19).
What are the key properties of 4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol?
4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol has a molecular weight of 311.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 2214012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).