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

C19H26N4OS — CID 135879243

IUPACN-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1
InChIInChI=1S/C19H26N4OS/c1-13(2)18(24)20-16-10-8-14(9-11-16)17-12-25-19(23-22-17)21-15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyXRMIXNVZJCXYNO-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.01
Rot. Bonds4

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

N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide (PubChem CID 135879243) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide
PubChem CID135879243
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1
InChIInChI=1S/C19H26N4OS/c1-13(2)18(24)20-16-10-8-14(9-11-16)17-12-25-19(23-22-17)21-15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyXRMIXNVZJCXYNO-UHFFFAOYSA-N
XLogP4.01
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-[2-(2-thiophen-2-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135877232
N-[5-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)-2-hydroxyphenyl]acetamide
CID 135903791
N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135673041
2-methyl-N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]propanamide
CID 101148243
N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135512181
N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
CID 135437918
N-[4-[2-(3-bromophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]-3-methylbutanamide
CID 135954974
N-[4-[2-[(2S)-1-methoxypropan-2-yl]imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135774929
5-(1,3-benzodioxol-5-yl)-N-cyclopropyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride
CID 135570272
2-methyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide
CID 23458541
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide (CID 135879243) is N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1.
What is the InChIKey of N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide?
The InChIKey is XRMIXNVZJCXYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13(2)18(24)20-16-10-8-14(9-11-16)17-12-25-19(23-22-17)21-15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide?
N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide has a molecular weight of 358.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 135879243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).