2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde

C12H12N2O3S — CID 130458792

IUPAC2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde
SMILESCOc1cc(Nc2ncc(C=O)s2)cc(OC)c1
InChIInChI=1S/C12H12N2O3S/c1-16-9-3-8(4-10(5-9)17-2)14-12-13-6-11(7-15)18-12/h3-7H,1-2H3,(H,13,14)
InChIKeyVSMWDGAOXLFJKS-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.72
Rot. Bonds5

About 2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde

2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde (PubChem CID 130458792) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde
PubChem CID130458792
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde
SMILESCOc1cc(Nc2ncc(C=O)s2)cc(OC)c1
InChIInChI=1S/C12H12N2O3S/c1-16-9-3-8(4-10(5-9)17-2)14-12-13-6-11(7-15)18-12/h3-7H,1-2H3,(H,13,14)
InChIKeyVSMWDGAOXLFJKS-UHFFFAOYSA-N
XLogP2.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 157013293
ethane;2-(2-sulfanylethylamino)-1,3-thiazole-5-carbaldehyde
CID 143328323
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
(2S)-2-[(5-formyl-1,3-thiazol-2-yl)amino]-2-iodoacetic acid
CID 118370128
2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde
CID 118011803
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751
3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine
CID 113413780
3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540
3-[2-[(3-methoxybenzoyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76907447
2-[2-[(5-formyl-1,3-thiazol-2-yl)amino]ethylamino]-1,3-thiazole-5-carboxamide
CID 123581458
4-methoxy-N-[2-(4-methoxyanilino)-1,3-thiazol-5-yl]benzamide
CID 87521287
3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde (CID 130458792) is 2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde is COc1cc(Nc2ncc(C=O)s2)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is VSMWDGAOXLFJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-16-9-3-8(4-10(5-9)17-2)14-12-13-6-11(7-15)18-12/h3-7H,1-2H3,(H,13,14).
What are the key properties of 2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde?
2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 264.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 130458792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).