4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine

C14H15N3O2S — CID 168618200

IUPAC4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cc3c(cc2C)OCCO3)n1
InChIInChI=1S/C14H15N3O2S/c1-9-5-12-13(19-4-3-18-12)6-11(9)7-15-17-14-16-10(2)8-20-14/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyCVKOAFOENFGTQB-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.98
Rot. Bonds3

About 4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine

4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168618200) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID168618200
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cc3c(cc2C)OCCO3)n1
InChIInChI=1S/C14H15N3O2S/c1-9-5-12-13(19-4-3-18-12)6-11(9)7-15-17-14-16-10(2)8-20-14/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyCVKOAFOENFGTQB-UHFFFAOYSA-N
XLogP2.98
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.98
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-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylideneamino)-4-methyl-1,3-thiazol-2-amine
CID 168618421
N-[[6-(4-methoxyphenyl)-1,3-benzodioxol-5-yl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619399
N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617561
4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
N-[(2-bromo-4-fluoro-5-methylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618021
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064
2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168616860
N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619252
N-[[2-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619104
N-[(7-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619527
N-[(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617902

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine (CID 168618200) is 4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2cc3c(cc2C)OCCO3)n1.
What is the InChIKey of 4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is CVKOAFOENFGTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-5-12-13(19-4-3-18-12)6-11(9)7-15-17-14-16-10(2)8-20-14/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 289.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168618200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).