N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide

C12H10N2O2S — CID 848604

IUPACN-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(C=O)cs1
InChIInChI=1S/C12H10N2O2S/c1-9(16)14(11-5-3-2-4-6-11)12-13-10(7-15)8-17-12/h2-8H,1H3
InChIKeyUPSVWABECCOHRT-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.64
Rot. Bonds3

About N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide

N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide (PubChem CID 848604) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide
PubChem CID848604
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC NameN-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(C=O)cs1
InChIInChI=1S/C12H10N2O2S/c1-9(16)14(11-5-3-2-4-6-11)12-13-10(7-15)8-17-12/h2-8H,1H3
InChIKeyUPSVWABECCOHRT-UHFFFAOYSA-N
XLogP2.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.64
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-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The IUPAC name of N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide (CID 848604) is N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(C=O)cs1.
What is the InChIKey of N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The InChIKey is UPSVWABECCOHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-9(16)14(11-5-3-2-4-6-11)12-13-10(7-15)8-17-12/h2-8H,1H3.
What are the key properties of N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide?
N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide has a molecular weight of 246.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 848604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).