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

C14H18N4OS — CID 135437918

IUPACN-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
SMILESCC/N=C1/NN=C(c2ccc(NC(=O)CC)cc2)CS1
InChIInChI=1S/C14H18N4OS/c1-3-13(19)16-11-7-5-10(6-8-11)12-9-20-14(15-4-2)18-17-12/h5-8H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyBTYTWOUQAWORDF-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.45
Rot. Bonds4

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

N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide (PubChem CID 135437918) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
PubChem CID135437918
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
SMILESCC/N=C1/NN=C(c2ccc(NC(=O)CC)cc2)CS1
InChIInChI=1S/C14H18N4OS/c1-3-13(19)16-11-7-5-10(6-8-11)12-9-20-14(15-4-2)18-17-12/h5-8H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyBTYTWOUQAWORDF-UHFFFAOYSA-N
XLogP2.45
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.45
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

N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
CID 135672885
N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135673041
N-[4-[2-(2-morpholin-4-ium-4-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135828350
N-[4-[2-[(2S)-1-methoxypropan-2-yl]imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135774929
N-[4-[2-(2-nitrophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135672954
N-[4-[2-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide
CID 135439325
3-methyl-N-[4-[2-(2-methylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]butanamide
CID 135909014
N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135512181
N-[4-[2-(4-chlorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]-3-methylbutanamide
CID 135672849
2-methyl-N-[4-[2-(2-thiophen-2-ylethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135877232
N-[4-[2-(3-bromophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]-3-methylbutanamide
CID 135954974
N-[4-[2-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide
CID 135437872

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide?
The IUPAC name of N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide (CID 135437918) is N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide is CC/N=C1/NN=C(c2ccc(NC(=O)CC)cc2)CS1.
What is the InChIKey of N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide?
The InChIKey is BTYTWOUQAWORDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-13(19)16-11-7-5-10(6-8-11)12-9-20-14(15-4-2)18-17-12/h5-8H,3-4,9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide?
N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide is sourced from PubChem (CID 135437918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).