(2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone

C14H17NOS — CID 101358988

IUPAC(2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone
SMILESCCC1CS/C(=C\C(=O)c2ccccc2)N1C
InChIInChI=1S/C14H17NOS/c1-3-12-10-17-14(15(12)2)9-13(16)11-7-5-4-6-8-11/h4-9,12H,3,10H2,1-2H3/b14-9-
InChIKeyBFFRKMYTIAXLMP-ZROIWOOFSA-N
MW247.36 g/mol
LogP3.17
Rot. Bonds3

About (2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone

(2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone (PubChem CID 101358988) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone
PubChem CID101358988
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone
SMILESCCC1CS/C(=C\C(=O)c2ccccc2)N1C
InChIInChI=1S/C14H17NOS/c1-3-12-10-17-14(15(12)2)9-13(16)11-7-5-4-6-8-11/h4-9,12H,3,10H2,1-2H3/b14-9-
InChIKeyBFFRKMYTIAXLMP-ZROIWOOFSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone
CID 177476304
(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-phenylethanone
CID 2061022
(2Z)-5-methyl-2-phenacylidene-3-phenyl-1,3-thiazolidin-4-one
CID 10335506
(Z)-1-phenylpent-2-en-1-one
CID 91998885
(2E)-5-[6-(hydroxymethyl)-3-methyl-2H-1,3-benzothiazol-2-yl]-3-methyl-2-phenacylidene-1,3-thiazolidin-4-one
CID 89221499
2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone
CID 154269725
[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7915910
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
2-(10-methylacridin-9-ylidene)-1-phenylethanone
CID 3797236
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)ethanone
CID 4702134

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone?
The IUPAC name of (2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone (CID 101358988) is (2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone.
What is the SMILES notation for (2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone?
The canonical SMILES for (2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone is CCC1CS/C(=C\C(=O)c2ccccc2)N1C.
What is the InChIKey of (2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone?
The InChIKey is BFFRKMYTIAXLMP-ZROIWOOFSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-12-10-17-14(15(12)2)9-13(16)11-7-5-4-6-8-11/h4-9,12H,3,10H2,1-2H3/b14-9-.
What are the key properties of (2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone?
(2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone has a molecular weight of 247.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-ethyl-3-methyl-1,3-thiazolidin-2-ylidene)-1-phenylethanone is sourced from PubChem (CID 101358988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).