2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde

C13H13NO3S — CID 116889414

IUPAC2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde
SMILESCOc1cc(C)c(-c2nc(C=O)cs2)cc1OC
InChIInChI=1S/C13H13NO3S/c1-8-4-11(16-2)12(17-3)5-10(8)13-14-9(6-15)7-18-13/h4-7H,1-3H3
InChIKeyMWLYJZFHZRDHKC-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.95
Rot. Bonds4

About 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde

2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 116889414) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID116889414
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde
SMILESCOc1cc(C)c(-c2nc(C=O)cs2)cc1OC
InChIInChI=1S/C13H13NO3S/c1-8-4-11(16-2)12(17-3)5-10(8)13-14-9(6-15)7-18-13/h4-7H,1-3H3
InChIKeyMWLYJZFHZRDHKC-UHFFFAOYSA-N
XLogP2.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazole
CID 116891772
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole
CID 116868425
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 2117534
2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864413
6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3524913
2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde
CID 79235363
2-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carbaldehyde
CID 63841527
4-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-1,3-thiazole
CID 116970071
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde
CID 176659494
2-(2,5-difluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 63663256
4-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethylbenzaldehyde
CID 165456748

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde (CID 116889414) is 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde is COc1cc(C)c(-c2nc(C=O)cs2)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is MWLYJZFHZRDHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-8-4-11(16-2)12(17-3)5-10(8)13-14-9(6-15)7-18-13/h4-7H,1-3H3.
What are the key properties of 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde?
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 263.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 116889414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).