2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde

C7H10N2OS — CID 12846796

IUPAC2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(C)C)sc1C=O
InChIInChI=1S/C7H10N2OS/c1-5-6(4-10)11-7(8-5)9(2)3/h4H,1-3H3
InChIKeyZEJDCOIUGAVMFI-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.33
Rot. Bonds2

About 2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde

2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 12846796) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID12846796
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(C)C)sc1C=O
InChIInChI=1S/C7H10N2OS/c1-5-6(4-10)11-7(8-5)9(2)3/h4H,1-3H3
InChIKeyZEJDCOIUGAVMFI-UHFFFAOYSA-N
XLogP1.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde (CID 12846796) is 2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(N(C)C)sc1C=O.
What is the InChIKey of 2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is ZEJDCOIUGAVMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-6(4-10)11-7(8-5)9(2)3/h4H,1-3H3.
What are the key properties of 2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde?
2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 170.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 12846796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).