N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide

C14H18N4O2S — CID 135439325

IUPACN-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide
SMILESCOCC/N=C1/NN=C(c2ccc(NC(C)=O)cc2)CS1
InChIInChI=1S/C14H18N4O2S/c1-10(19)16-12-5-3-11(4-6-12)13-9-21-14(18-17-13)15-7-8-20-2/h3-6H,7-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyZZRJKLPEGBZEAO-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.69
Rot. Bonds5

About N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide

N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide (PubChem CID 135439325) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide
PubChem CID135439325
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide
SMILESCOCC/N=C1/NN=C(c2ccc(NC(C)=O)cc2)CS1
InChIInChI=1S/C14H18N4O2S/c1-10(19)16-12-5-3-11(4-6-12)13-9-21-14(18-17-13)15-7-8-20-2/h3-6H,7-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyZZRJKLPEGBZEAO-UHFFFAOYSA-N
XLogP1.69
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide (CID 135439325) is N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide is COCC/N=C1/NN=C(c2ccc(NC(C)=O)cc2)CS1.
What is the InChIKey of N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide?
The InChIKey is ZZRJKLPEGBZEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(19)16-12-5-3-11(4-6-12)13-9-21-14(18-17-13)15-7-8-20-2/h3-6H,7-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide?
N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide is sourced from PubChem (CID 135439325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).