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

C12H9ClN2O2S — CID 3728040

IUPACN-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N(c1cccc(Cl)c1)c1nc(C=O)cs1
InChIInChI=1S/C12H9ClN2O2S/c1-8(17)15(11-4-2-3-9(13)5-11)12-14-10(6-16)7-18-12/h2-7H,1H3
InChIKeyPBBRLJUFVBUNIC-UHFFFAOYSA-N
MW280.74 g/mol
LogP3.29
Rot. Bonds3

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

N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3728040) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
PubChem CID3728040
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC NameN-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N(c1cccc(Cl)c1)c1nc(C=O)cs1
InChIInChI=1S/C12H9ClN2O2S/c1-8(17)15(11-4-2-3-9(13)5-11)12-14-10(6-16)7-18-12/h2-7H,1H3
InChIKeyPBBRLJUFVBUNIC-UHFFFAOYSA-N
XLogP3.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 53.29
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

N-[(Z)-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methylideneamino]acetamide
CID 9073997
N-(3-chlorophenyl)-N-[4-[(Z)-(methylcarbamothioylhydrazinylidene)methyl]-1,3-thiazol-2-yl]acetamide
CID 9071789
N-(3-chlorophenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 9351274
2-methoxyethyl (E)-3-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate
CID 18290451
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]prop-2-enamide
CID 9209863
N-(3-chlorophenyl)-N-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 39046550
N-[4-[(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 26496643
N-(2-fluorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
CID 2090927
[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methyl 2,3-dimethylbenzoate
CID 7968229
N-[4-[(Z)-methoxyiminomethyl]-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)acetamide
CID 27718171
1-[[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide
CID 8556858
[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 24685612

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide (CID 3728040) is N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide is CC(=O)N(c1cccc(Cl)c1)c1nc(C=O)cs1.
What is the InChIKey of N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is PBBRLJUFVBUNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c1-8(17)15(11-4-2-3-9(13)5-11)12-14-10(6-16)7-18-12/h2-7H,1H3.
What are the key properties of N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 280.74 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3728040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).