4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide

C12H15N3O3S — CID 142831926

IUPAC4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide
SMILESCOc1ccc(C2=CSC(/C(N)=N/O)N2)cc1OC
InChIInChI=1S/C12H15N3O3S/c1-17-9-4-3-7(5-10(9)18-2)8-6-19-12(14-8)11(13)15-16/h3-6,12,14,16H,1-2H3,(H2,13,15)
InChIKeyFRZUQIMEEMHFHN-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.41
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide

4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide (PubChem CID 142831926) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide
PubChem CID142831926
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide
SMILESCOc1ccc(C2=CSC(/C(N)=N/O)N2)cc1OC
InChIInChI=1S/C12H15N3O3S/c1-17-9-4-3-7(5-10(9)18-2)8-6-19-12(14-8)11(13)15-16/h3-6,12,14,16H,1-2H3,(H2,13,15)
InChIKeyFRZUQIMEEMHFHN-UHFFFAOYSA-N
XLogP1.41
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 154373280
(NE)-N-[3-cyclopentyl-2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-ylidene]hydroxylamine
CID 11580304
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)cyclopent-2-en-1-yl]methanol
CID 118987418
3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
CID 90703459
N-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydro-1,3,4-thiadiazin-2-imine
CID 135743749
2-(3,4-dimethoxyphenyl)-5-iodo-6,7-dihydro-5H-1,3-benzoxazol-4-one
CID 67210301
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
4-(4-bromophenyl)-1,2-dimethoxybenzene
CID 83666365
3-(3,4-dimethoxyphenyl)phenol
CID 39231875
(3S)-1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide
CID 9305149

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide (CID 142831926) is 4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide is COc1ccc(C2=CSC(/C(N)=N/O)N2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide?
The InChIKey is FRZUQIMEEMHFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-17-9-4-3-7(5-10(9)18-2)8-6-19-12(14-8)11(13)15-16/h3-6,12,14,16H,1-2H3,(H2,13,15).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide?
4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide has a molecular weight of 281.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide is sourced from PubChem (CID 142831926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).