N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide

C9H12N2O2S — CID 121307722

IUPACN,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(C=O)n1
InChIInChI=1S/C9H12N2O2S/c1-3-11(4-2)9(13)7-6-14-8(5-12)10-7/h5-6H,3-4H2,1-2H3
InChIKeyISUDPFOORNAZDU-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.44
Rot. Bonds4

About N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide

N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide (PubChem CID 121307722) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide
PubChem CID121307722
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(C=O)n1
InChIInChI=1S/C9H12N2O2S/c1-3-11(4-2)9(13)7-6-14-8(5-12)10-7/h5-6H,3-4H2,1-2H3
InChIKeyISUDPFOORNAZDU-UHFFFAOYSA-N
XLogP1.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.44
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 N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide (CID 121307722) is N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1csc(C=O)n1.
What is the InChIKey of N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide?
The InChIKey is ISUDPFOORNAZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-3-11(4-2)9(13)7-6-14-8(5-12)10-7/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide?
N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 121307722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).