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

C14H18N4OS — CID 135673041

IUPACN-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
SMILESCCC/N=C1/NN=C(c2ccc(NC(C)=O)cc2)CS1
InChIInChI=1S/C14H18N4OS/c1-3-8-15-14-18-17-13(9-20-14)11-4-6-12(7-5-11)16-10(2)19/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyOCYAIZQYOVDFMQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.45
Rot. Bonds4

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

N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide (PubChem CID 135673041) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
PubChem CID135673041
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
SMILESCCC/N=C1/NN=C(c2ccc(NC(C)=O)cc2)CS1
InChIInChI=1S/C14H18N4OS/c1-3-8-15-14-18-17-13(9-20-14)11-4-6-12(7-5-11)16-10(2)19/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyOCYAIZQYOVDFMQ-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-(2-methoxyethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide
CID 135439325
N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
CID 135437918
N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135512181
N-[4-(2-benzylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
CID 135672885
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-(2,4-dimethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]acetamide;hydrochloride
CID 135802474
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-(furan-2-ylmethylimino)-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide
CID 135437872
N-[4-[2-(2-nitrophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]propanamide
CID 135672954
N-[4-[2-(4-chlorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]-3-methylbutanamide
CID 135672849
N-[4-(2-cyclohexylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]-2-methylpropanamide
CID 135879243
5-(3-bromophenyl)-N-butyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135672863

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide (CID 135673041) is N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide is CCC/N=C1/NN=C(c2ccc(NC(C)=O)cc2)CS1.
What is the InChIKey of N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide?
The InChIKey is OCYAIZQYOVDFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-8-15-14-18-17-13(9-20-14)11-4-6-12(7-5-11)16-10(2)19/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide?
N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide 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-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide is sourced from PubChem (CID 135673041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).