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

C9H14N2OS — CID 62764542

IUPAC2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCN(CC)c1nc(C)c(C=O)s1
InChIInChI=1S/C9H14N2OS/c1-4-11(5-2)9-10-7(3)8(6-12)13-9/h6H,4-5H2,1-3H3
InChIKeyGXYITVOVPWVVNI-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.11
Rot. Bonds4

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

2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62764542) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID62764542
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCN(CC)c1nc(C)c(C=O)s1
InChIInChI=1S/C9H14N2OS/c1-4-11(5-2)9-10-7(3)8(6-12)13-9/h6H,4-5H2,1-3H3
InChIKeyGXYITVOVPWVVNI-UHFFFAOYSA-N
XLogP2.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.11
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-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde (CID 62764542) is 2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde is CCN(CC)c1nc(C)c(C=O)s1.
What is the InChIKey of 2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is GXYITVOVPWVVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-4-11(5-2)9-10-7(3)8(6-12)13-9/h6H,4-5H2,1-3H3.
What are the key properties of 2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde?
2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 198.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62764542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).