(1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one

C15H17NOS — CID 15063154

IUPAC(1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one
SMILESC/C=C(/CC)N1/C(=C/C(C)=O)Sc2ccccc21
InChIInChI=1S/C15H17NOS/c1-4-12(5-2)16-13-8-6-7-9-14(13)18-15(16)10-11(3)17/h4,6-10H,5H2,1-3H3/b12-4-,15-10-
InChIKeyUCRIXLOFMXFIFB-BHPWTJDBSA-N
MW259.37 g/mol
LogP4.34
Rot. Bonds3

About (1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one

(1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one (PubChem CID 15063154) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one.

Molecular Properties

Compound Name(1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one
PubChem CID15063154
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one
SMILESC/C=C(/CC)N1/C(=C/C(C)=O)Sc2ccccc21
InChIInChI=1S/C15H17NOS/c1-4-12(5-2)16-13-8-6-7-9-14(13)18-15(16)10-11(3)17/h4,6-10H,5H2,1-3H3/b12-4-,15-10-
InChIKeyUCRIXLOFMXFIFB-BHPWTJDBSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one with MolForge

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Related Compounds

(1E)-1-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-one
CID 670432
(1Z)-1-[3-(2-hydroxyethyl)-1,3-benzothiazol-2-ylidene]propan-2-one
CID 176995744
(1Z)-1-(3-benzyl-1,3-benzothiazol-2-ylidene)propan-2-one
CID 10039378
methyl (2E)-2-(3-propyl-1,3-benzothiazol-2-ylidene)acetate
CID 177478626
1,3-bis(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-one
CID 5197132
(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylethanone
CID 2061022
1-[(2E)-2-(1-sulfanylethylidene)-1,3-benzothiazol-3-yl]ethanone
CID 163654376
(2-oxo-2-phenothiazin-10-ylethyl) but-2-enoate
CID 4999906
(1Z)-1-[5-(hydroxymethyl)-3-methyl-1,3-benzothiazol-2-ylidene]propan-2-one
CID 70260605
1-phenothiazin-10-ylprop-2-en-1-one
CID 13012850
(1Z,8Z)-1,8-bis(3-methyl-1,3-benzothiazol-2-ylidene)octane-2,7-dione
CID 56694003
[(2Z)-3-ethyl-2-(2-oxopropylidene)-1,3-benzothiazol-5-yl] acetate
CID 44633738

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one?
The IUPAC name of (1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one (CID 15063154) is (1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one.
What is the SMILES notation for (1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one?
The canonical SMILES for (1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one is C/C=C(/CC)N1/C(=C/C(C)=O)Sc2ccccc21.
What is the InChIKey of (1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one?
The InChIKey is UCRIXLOFMXFIFB-BHPWTJDBSA-N. The full InChI is InChI=1S/C15H17NOS/c1-4-12(5-2)16-13-8-6-7-9-14(13)18-15(16)10-11(3)17/h4,6-10H,5H2,1-3H3/b12-4-,15-10-.
What are the key properties of (1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one?
(1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one has a molecular weight of 259.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one is sourced from PubChem (CID 15063154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).