2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane

C9H16N2OS — CID 142947803

IUPAC2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane
SMILESCC.CN(C)Cc1nc(C=O)cs1
InChIInChI=1S/C7H10N2OS.C2H6/c1-9(2)3-7-8-6(4-10)5-11-7;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyWKXUTECEDIXBFQ-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.04
Rot. Bonds3

About 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane

2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane (PubChem CID 142947803) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane
PubChem CID142947803
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane
SMILESCC.CN(C)Cc1nc(C=O)cs1
InChIInChI=1S/C7H10N2OS.C2H6/c1-9(2)3-7-8-6(4-10)5-11-7;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyWKXUTECEDIXBFQ-UHFFFAOYSA-N
XLogP2.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethanethioamide;2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;hydrochloride
CID 161077848
2-[[ethyl(methyl)amino]methyl]-1,3-thiazole-4-carbaldehyde
CID 165440165
2-butyl-1,3-thiazole-4-carbaldehyde
CID 58168525
1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
CID 122628208
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carbaldehyde
CID 62800362
2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde
CID 62551222
ethane;N-[3-(4-formyl-1,3-thiazol-2-yl)propyl]acetamide
CID 144755315
2-ethoxy-1,3-thiazole-4-carbaldehyde
CID 83872893
4-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
CID 61308270
(E)-3-(2-ethyl-1,3-thiazol-4-yl)prop-2-enal
CID 131233241
2-[(2,4-dichlorophenyl)methyl]-1,3-thiazole-4-carbaldehyde
CID 60998346
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbaldehyde
CID 82516493

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane?
The IUPAC name of 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane (CID 142947803) is 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane?
The canonical SMILES for 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane is CC.CN(C)Cc1nc(C=O)cs1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane?
The InChIKey is WKXUTECEDIXBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS.C2H6/c1-9(2)3-7-8-6(4-10)5-11-7;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane?
2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane has a molecular weight of 200.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane is sourced from PubChem (CID 142947803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).