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

C7H10N2OS — CID 119030950

IUPAC5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde
SMILESCN(C)Cc1cnc(C=O)s1
InChIInChI=1S/C7H10N2OS/c1-9(2)4-6-3-8-7(5-10)11-6/h3,5H,4H2,1-2H3
InChIKeyBJSYJISPPSMEAW-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.02
Rot. Bonds3

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

5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde (PubChem CID 119030950) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde
PubChem CID119030950
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde
SMILESCN(C)Cc1cnc(C=O)s1
InChIInChI=1S/C7H10N2OS/c1-9(2)4-6-3-8-7(5-10)11-6/h3,5H,4H2,1-2H3
InChIKeyBJSYJISPPSMEAW-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde (CID 119030950) is 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde is CN(C)Cc1cnc(C=O)s1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde?
The InChIKey is BJSYJISPPSMEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-9(2)4-6-3-8-7(5-10)11-6/h3,5H,4H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde?
5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde has a molecular weight of 170.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 119030950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).