3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol

C12H13N3OS — CID 4123230

IUPAC3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol
SMILESCC(=NNc1nc(C)cs1)c1cccc(O)c1
InChIInChI=1S/C12H13N3OS/c1-8-7-17-12(13-8)15-14-9(2)10-4-3-5-11(16)6-10/h3-7,16H,1-2H3,(H,13,15)
InChIKeyBBFRZEWKHAVALH-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.99
Rot. Bonds3

About 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol

3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol (PubChem CID 4123230) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol.

Molecular Properties

Compound Name3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol
PubChem CID4123230
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol
SMILESCC(=NNc1nc(C)cs1)c1cccc(O)c1
InChIInChI=1S/C12H13N3OS/c1-8-7-17-12(13-8)15-14-9(2)10-4-3-5-11(16)6-10/h3-7,16H,1-2H3,(H,13,15)
InChIKeyBBFRZEWKHAVALH-UHFFFAOYSA-N
XLogP2.99
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 91823777
4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 171978845
4-iodo-3-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168618025
N-(3-hydroxyphenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997307
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 78614568
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598
2-[(E)-C-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]benzene-1,3,5-triol
CID 136627447
2-(3-hydroxyphenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104590763

Frequently Asked Questions

What is the IUPAC name of 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol?
The IUPAC name of 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol (CID 4123230) is 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol.
What is the SMILES notation for 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol?
The canonical SMILES for 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol is CC(=NNc1nc(C)cs1)c1cccc(O)c1.
What is the InChIKey of 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol?
The InChIKey is BBFRZEWKHAVALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-7-17-12(13-8)15-14-9(2)10-4-3-5-11(16)6-10/h3-7,16H,1-2H3,(H,13,15).
What are the key properties of 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol?
3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol has a molecular weight of 247.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[C-methyl-N-[(4-methyl-1,3-thiazol-2-yl)amino]carbonimidoyl]phenol is sourced from PubChem (CID 4123230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).