3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one

C17H16N2O2S — CID 3383732

IUPAC3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16(10-9-15-8-4-12-21-15)19-11-5-13-22-17(19)18-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2/b10-9?,18-17-
InChIKeyCBNODNLGNZZZQN-GPAUUMAZSA-N
MW312.39 g/mol
LogP3.95
Rot. Bonds3

About 3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one

3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one (PubChem CID 3383732) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one
PubChem CID3383732
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16(10-9-15-8-4-12-21-15)19-11-5-13-22-17(19)18-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2/b10-9?,18-17-
InChIKeyCBNODNLGNZZZQN-GPAUUMAZSA-N
XLogP3.95
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-1-[2-(1-phenylethylimino)-1,3-thiazolidin-3-yl]prop-2-en-1-one
CID 4966503
(E)-3-(furan-2-yl)-1-(2-methylidene-1,3-thiazolidin-3-yl)prop-2-en-1-one
CID 11310590
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 139256760
3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 76987242
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 24653451
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 76857507
2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-3-oxopent-4-enoic acid
CID 72771340
(E)-3-(furan-2-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)prop-2-en-1-one
CID 16573656
(E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione
CID 1269928
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
3-(furan-2-yl)prop-2-enoic acid
CID 159116571

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one (CID 3383732) is 3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one is O=C(C=Cc1ccco1)N1CCCS/C1=N\c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one?
The InChIKey is CBNODNLGNZZZQN-GPAUUMAZSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16(10-9-15-8-4-12-21-15)19-11-5-13-22-17(19)18-14-6-2-1-3-7-14/h1-4,6-10,12H,5,11,13H2/b10-9?,18-17-.
What are the key properties of 3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one?
3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one has a molecular weight of 312.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one is sourced from PubChem (CID 3383732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).