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

C16H20N4OS — CID 135903787

IUPACN-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C2=NN/C(=N/C3CC3)SC2)cc1
InChIInChI=1S/C16H20N4OS/c1-11(21)17-9-8-12-2-4-13(5-3-12)15-10-22-16(20-19-15)18-14-6-7-14/h2-5,14H,6-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyRUQHTLPBCFTCHL-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.92
Rot. Bonds5

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

N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide (PubChem CID 135903787) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide
PubChem CID135903787
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C2=NN/C(=N/C3CC3)SC2)cc1
InChIInChI=1S/C16H20N4OS/c1-11(21)17-9-8-12-2-4-13(5-3-12)15-10-22-16(20-19-15)18-14-6-7-14/h2-5,14H,6-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyRUQHTLPBCFTCHL-UHFFFAOYSA-N
XLogP1.92
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.92
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-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide
CID 70613417
N-[[4-[2-(2-ethylphenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]methyl]acetamide
CID 135587926
N-[4-(2-propylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135673041
N-[4-(2-phenylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]acetamide
CID 135512181
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[4-(2-ethylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]propanamide
CID 135437918
N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide
CID 20803106
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 110351882
N-[4-[2-(3-bromophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]-3-methylbutanamide
CID 135954974
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
(1S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 31933611

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide (CID 135903787) is N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C2=NN/C(=N/C3CC3)SC2)cc1.
What is the InChIKey of N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide?
The InChIKey is RUQHTLPBCFTCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11(21)17-9-8-12-2-4-13(5-3-12)15-10-22-16(20-19-15)18-14-6-7-14/h2-5,14H,6-10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide?
N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide has a molecular weight of 316.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-cyclopropylimino-3,6-dihydro-1,3,4-thiadiazin-5-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 135903787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).