(7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one

C17H19N3OS — CID 29126848

IUPAC(7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one
SMILESO=C1/C(=C/c2ccccc2)N=C2SCN(C3CCCC3)CN12
InChIInChI=1S/C17H19N3OS/c21-16-15(10-13-6-2-1-3-7-13)18-17-20(16)11-19(12-22-17)14-8-4-5-9-14/h1-3,6-7,10,14H,4-5,8-9,11-12H2/b15-10-
InChIKeyNFDNNSNDHTVAEF-GDNBJRDFSA-N
MW313.43 g/mol
LogP3.13
Rot. Bonds2

About (7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one

(7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one (PubChem CID 29126848) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one.

Molecular Properties

Compound Name(7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one
PubChem CID29126848
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one
SMILESO=C1/C(=C/c2ccccc2)N=C2SCN(C3CCCC3)CN12
InChIInChI=1S/C17H19N3OS/c21-16-15(10-13-6-2-1-3-7-13)18-17-20(16)11-19(12-22-17)14-8-4-5-9-14/h1-3,6-7,10,14H,4-5,8-9,11-12H2/b15-10-
InChIKeyNFDNNSNDHTVAEF-GDNBJRDFSA-N
XLogP3.13
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one?
The IUPAC name of (7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one (CID 29126848) is (7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one.
What is the SMILES notation for (7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one?
The canonical SMILES for (7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one is O=C1/C(=C/c2ccccc2)N=C2SCN(C3CCCC3)CN12.
What is the InChIKey of (7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one?
The InChIKey is NFDNNSNDHTVAEF-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-16-15(10-13-6-2-1-3-7-13)18-17-20(16)11-19(12-22-17)14-8-4-5-9-14/h1-3,6-7,10,14H,4-5,8-9,11-12H2/b15-10-.
What are the key properties of (7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one?
(7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one has a molecular weight of 313.43 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-benzylidene-3-cyclopentyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one is sourced from PubChem (CID 29126848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).