4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine

C13H13N5S — CID 168619047

IUPAC4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc3cn(C)nc3c2)n1
InChIInChI=1S/C13H13N5S/c1-9-8-19-13(15-9)16-14-6-10-3-4-11-7-18(2)17-12(11)5-10/h3-8H,1-2H3,(H,15,16)
InChIKeyDGALSHXIMJLZFX-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.78
Rot. Bonds3

About 4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine

4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168619047) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID168619047
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc3cn(C)nc3c2)n1
InChIInChI=1S/C13H13N5S/c1-9-8-19-13(15-9)16-14-6-10-3-4-11-7-18(2)17-12(11)5-10/h3-8H,1-2H3,(H,15,16)
InChIKeyDGALSHXIMJLZFX-UHFFFAOYSA-N
XLogP2.78
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.78
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

4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylideneamino)-4-methyl-1,3-thiazol-2-amine
CID 168618421
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617991
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
N-[[4-(4-chlorophenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617133
2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide
CID 168619127
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168600655
4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine
CID 168619215
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine (CID 168619047) is 4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccc3cn(C)nc3c2)n1.
What is the InChIKey of 4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is DGALSHXIMJLZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-9-8-19-13(15-9)16-14-6-10-3-4-11-7-18(2)17-12(11)5-10/h3-8H,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168619047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).