4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol

C15H15N3OS2 — CID 973149

IUPAC4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol
SMILESCc1nc(C)c(-c2csc(Nc3ccc(O)cc3C)n2)s1
InChIInChI=1S/C15H15N3OS2/c1-8-6-11(19)4-5-12(8)17-15-18-13(7-20-15)14-9(2)16-10(3)21-14/h4-7,19H,1-3H3,(H,17,18)
InChIKeyGAFFBJRAVSNRGF-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.64
Rot. Bonds3

About 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol

4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol (PubChem CID 973149) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol.

Molecular Properties

Compound Name4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol
PubChem CID973149
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol
SMILESCc1nc(C)c(-c2csc(Nc3ccc(O)cc3C)n2)s1
InChIInChI=1S/C15H15N3OS2/c1-8-6-11(19)4-5-12(8)17-15-18-13(7-20-15)14-9(2)16-10(3)21-14/h4-7,19H,1-3H3,(H,17,18)
InChIKeyGAFFBJRAVSNRGF-UHFFFAOYSA-N
XLogP4.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol?
The IUPAC name of 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol (CID 973149) is 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol.
What is the SMILES notation for 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol?
The canonical SMILES for 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol is Cc1nc(C)c(-c2csc(Nc3ccc(O)cc3C)n2)s1.
What is the InChIKey of 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol?
The InChIKey is GAFFBJRAVSNRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-8-6-11(19)4-5-12(8)17-15-18-13(7-20-15)14-9(2)16-10(3)21-14/h4-7,19H,1-3H3,(H,17,18).
What are the key properties of 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol?
4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol has a molecular weight of 317.44 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-methylphenol is sourced from PubChem (CID 973149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).