4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide

C13H15N3OS — CID 107657059

IUPAC4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2csc(C)n2)c1
InChIInChI=1S/C13H15N3OS/c1-8-3-4-10(13(14)15)5-12(8)17-6-11-7-18-9(2)16-11/h3-5,7H,6H2,1-2H3,(H3,14,15)
InChIKeyYSUJBUPOAZDPHS-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.62
Rot. Bonds4

About 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide

4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide (PubChem CID 107657059) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
PubChem CID107657059
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(OCc2csc(C)n2)c1
InChIInChI=1S/C13H15N3OS/c1-8-3-4-10(13(14)15)5-12(8)17-6-11-7-18-9(2)16-11/h3-5,7H,6H2,1-2H3,(H3,14,15)
InChIKeyYSUJBUPOAZDPHS-UHFFFAOYSA-N
XLogP2.62
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
3-(2,2-difluoroethoxy)-4-methylbenzenecarboximidamide
CID 107657141
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzenecarboximidamide
CID 107657153
3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid
CID 60722313
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107881722
3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657180
3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
CID 107912552
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320748
4-bromo-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]aniline
CID 103009149
4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
CID 80707777
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide (CID 107657059) is 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(OCc2csc(C)n2)c1.
What is the InChIKey of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide?
The InChIKey is YSUJBUPOAZDPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-3-4-10(13(14)15)5-12(8)17-6-11-7-18-9(2)16-11/h3-5,7H,6H2,1-2H3,(H3,14,15).
What are the key properties of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide?
4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide has a molecular weight of 261.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 107657059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).