3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol

C12H14N2OS — CID 56972516

IUPAC3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol
SMILESCc1s/c(=N/c2cccc(O)c2)n(C)c1C
InChIInChI=1S/C12H14N2OS/c1-8-9(2)16-12(14(8)3)13-10-5-4-6-11(15)7-10/h4-7,15H,1-3H3/b13-12+
InChIKeyXPPHDRGIQNTSMM-OUKQBFOZSA-N
MW234.32 g/mol
LogP2.64
Rot. Bonds1

About 3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol

3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol (PubChem CID 56972516) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol.

Molecular Properties

Compound Name3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol
PubChem CID56972516
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol
SMILESCc1s/c(=N/c2cccc(O)c2)n(C)c1C
InChIInChI=1S/C12H14N2OS/c1-8-9(2)16-12(14(8)3)13-10-5-4-6-11(15)7-10/h4-7,15H,1-3H3/b13-12+
InChIKeyXPPHDRGIQNTSMM-OUKQBFOZSA-N
XLogP2.64
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol?
The IUPAC name of 3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol (CID 56972516) is 3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol.
What is the SMILES notation for 3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol?
The canonical SMILES for 3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol is Cc1s/c(=N/c2cccc(O)c2)n(C)c1C.
What is the InChIKey of 3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol?
The InChIKey is XPPHDRGIQNTSMM-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-9(2)16-12(14(8)3)13-10-5-4-6-11(15)7-10/h4-7,15H,1-3H3/b13-12+.
What are the key properties of 3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol?
3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol has a molecular weight of 234.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5-trimethyl-1,3-thiazol-2-ylidene)amino]phenol is sourced from PubChem (CID 56972516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).