2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde

C7H10N2OS — CID 83874030

IUPAC2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde
SMILESCN(C)c1ncc(CC=O)s1
InChIInChI=1S/C7H10N2OS/c1-9(2)7-8-5-6(11-7)3-4-10/h4-5H,3H2,1-2H3
InChIKeyWACQSZBMICUIIN-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.95
Rot. Bonds3

About 2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde

2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde (PubChem CID 83874030) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde
PubChem CID83874030
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde
SMILESCN(C)c1ncc(CC=O)s1
InChIInChI=1S/C7H10N2OS/c1-9(2)7-8-5-6(11-7)3-4-10/h4-5H,3H2,1-2H3
InChIKeyWACQSZBMICUIIN-UHFFFAOYSA-N
XLogP0.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.95
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-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde (CID 83874030) is 2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde is CN(C)c1ncc(CC=O)s1.
What is the InChIKey of 2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde?
The InChIKey is WACQSZBMICUIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-9(2)7-8-5-6(11-7)3-4-10/h4-5H,3H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde?
2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde has a molecular weight of 170.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde is sourced from PubChem (CID 83874030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).