(4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one

C11H9NOS3 — CID 5310740

IUPAC(4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one
SMILESCSC1=N/C(=C\C=C\c2cccs2)C(=O)S1
InChIInChI=1S/C11H9NOS3/c1-14-11-12-9(10(13)16-11)6-2-4-8-5-3-7-15-8/h2-7H,1H3/b4-2+,9-6-
InChIKeyMYVZLCKDZMGVKR-RXXVAJQJSA-N
MW267.40 g/mol
LogP3.64
Rot. Bonds2

About (4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one

(4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one (PubChem CID 5310740) has the molecular formula C11H9NOS3 and a molecular weight of 267.40 g/mol. Its IUPAC name is (4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one.

Molecular Properties

Compound Name(4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one
PubChem CID5310740
Molecular FormulaC11H9NOS3
Molecular Weight267.40 g/mol
Exact Mass266.98
IUPAC Name(4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one
SMILESCSC1=N/C(=C\C=C\c2cccs2)C(=O)S1
InChIInChI=1S/C11H9NOS3/c1-14-11-12-9(10(13)16-11)6-2-4-8-5-3-7-15-8/h2-7H,1H3/b4-2+,9-6-
InChIKeyMYVZLCKDZMGVKR-RXXVAJQJSA-N
XLogP3.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-4-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-5-one
CID 2907392
2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
CID 10885407
4-cinnamylidene-2-prop-2-enylsulfanyl-1,3-thiazol-5-one
CID 2923217
methyl (2E,4E,6E)-7-thiophen-2-ylhepta-2,4,6-trienoate
CID 14546239
(E)-2-thiophen-2-ylethenol
CID 89297537
(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 139087233
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
(3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine
CID 177420875
dichloro-methyl-(2-thiophen-2-ylethenyl)silane
CID 131873611
methyl (2Z,4E)-2-acetyl-5-thiophen-2-ylpenta-2,4-dienoate
CID 805471
2-[2-(2-thiophen-2-ylethenylsulfonyl)ethenyl]thiophene
CID 141485128
5-thiophen-2-ylpenta-2,4-dien-1-ol
CID 54372046

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one?
The IUPAC name of (4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one (CID 5310740) is (4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one.
What is the SMILES notation for (4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one?
The canonical SMILES for (4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one is CSC1=N/C(=C\C=C\c2cccs2)C(=O)S1.
What is the InChIKey of (4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one?
The InChIKey is MYVZLCKDZMGVKR-RXXVAJQJSA-N. The full InChI is InChI=1S/C11H9NOS3/c1-14-11-12-9(10(13)16-11)6-2-4-8-5-3-7-15-8/h2-7H,1H3/b4-2+,9-6-.
What are the key properties of (4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one?
(4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one has a molecular weight of 267.40 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methylsulfanyl-4-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazol-5-one is sourced from PubChem (CID 5310740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).