4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine

C12H13N3O2S2 — CID 168600655

IUPAC4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H13N3O2S2/c1-9-8-18-12(14-9)15-13-7-10-3-5-11(6-4-10)19(2,16)17/h3-8H,1-2H3,(H,14,15)
InChIKeyNLWBYOCYCROFKG-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.30
Rot. Bonds4

About 4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine

4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168600655) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID168600655
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H13N3O2S2/c1-9-8-18-12(14-9)15-13-7-10-3-5-11(6-4-10)19(2,16)17/h3-8H,1-2H3,(H,14,15)
InChIKeyNLWBYOCYCROFKG-UHFFFAOYSA-N
XLogP2.30
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[4-(4-chlorophenyl)sulfonylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617650
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617991
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
N-[[4-(4-chlorophenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617133
N-[[4-(2-chlorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617180
4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168619483
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 168618466
2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide
CID 168619127

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 168600655) is 4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is NLWBYOCYCROFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-9-8-18-12(14-9)15-13-7-10-3-5-11(6-4-10)19(2,16)17/h3-8H,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168600655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).