N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride

C19H21ClN4OS — CID 135802474

IUPACN-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C2=NN/C(=N/c3ccc(C)cc3C)SC2)cc1.Cl
InChIInChI=1S/C19H20N4OS.ClH/c1-12-4-9-17(13(2)10-12)21-19-23-22-18(11-25-19)15-5-7-16(8-6-15)20-14(3)24;/h4-10H,11H2,1-3H3,(H,20,24)(H,21,23);1H
InChIKeyVXMHSUZYBDUYGG-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.41
Rot. Bonds3

About N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride

N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride (PubChem CID 135802474) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride
PubChem CID135802474
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC NameN-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C2=NN/C(=N/c3ccc(C)cc3C)SC2)cc1.Cl
InChIInChI=1S/C19H20N4OS.ClH/c1-12-4-9-17(13(2)10-12)21-19-23-22-18(11-25-19)15-5-7-16(8-6-15)20-14(3)24;/h4-10H,11H2,1-3H3,(H,20,24)(H,21,23);1H
InChIKeyVXMHSUZYBDUYGG-UHFFFAOYSA-N
XLogP4.41
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_L(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135512181
5-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 137301730
N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135673041
N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide
CID 135439325
N-[4-[2-(4-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]methanesulfonamide
CID 135623647
N-[4-[2-(2-nitrophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135672954
N-[[4-[2-(2-ethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]methyl]acetamide
CID 135587926
(NE)-N-[5-(4-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-ylidene]methanesulfonamide
CID 135908335
N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
CID 135672885
N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide
CID 135879243
N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide
CID 135903791
N-(4-methylphenyl)acetamide
CID 7684

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride (CID 135802474) is N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(C2=NN/C(=N/c3ccc(C)cc3C)SC2)cc1.Cl.
What is the InChIKey of N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride?
The InChIKey is VXMHSUZYBDUYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS.ClH/c1-12-4-9-17(13(2)10-12)21-19-23-22-18(11-25-19)15-5-7-16(8-6-15)20-14(3)24;/h4-10H,11H2,1-3H3,(H,20,24)(H,21,23);1H.
What are the key properties of N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride?
N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride has a molecular weight of 388.92 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 135802474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).