(1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one

C13H13NOS — CID 132544036

IUPAC(1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one
SMILESCC(=O)/C=C1\SC=C(C)N1c1ccccc1
InChIInChI=1S/C13H13NOS/c1-10-9-16-13(8-11(2)15)14(10)12-6-4-3-5-7-12/h3-9H,1-2H3/b13-8-
InChIKeyGXUPQVFNRKRBEK-JYRVWZFOSA-N
MW231.32 g/mol
LogP3.53
Rot. Bonds2

About (1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one

(1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one (PubChem CID 132544036) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is (1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one.

Molecular Properties

Compound Name(1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one
PubChem CID132544036
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name(1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one
SMILESCC(=O)/C=C1\SC=C(C)N1c1ccccc1
InChIInChI=1S/C13H13NOS/c1-10-9-16-13(8-11(2)15)14(10)12-6-4-3-5-7-12/h3-9H,1-2H3/b13-8-
InChIKeyGXUPQVFNRKRBEK-JYRVWZFOSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.53
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

3-Phenyl-2,4-thiazolidinedione
CID 221043
5-Methyl-3-phenyl-2-thioxo-4-thiazolidinone
CID 98329
4-Phenylamino-3-penten-2-one
CID 5705329
1-(2,4-Difluorophenyl)-2,6-dimethylpyridin-4-one
CID 2314953
1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone
CID 3727641
2,6-Dimethyl-1-phenyl-4(1H)-pyridone hydrochloride
CID 517812
1-[6-Methyl-4-(methylsulfanyl)-1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl]ethanone
CID 825258
5-Methyl-2-N-Phenylisothiazol-3(2H)-one
CID 44564011
4-methyl-3-phenyl-1,3-thiazole-2(3H)-thione
CID 240712
2-Phenylisothiazol-3(2H)-one
CID 11052198
Enamine_000584
CID 417190
1-(3,4-diphenyl-1,3-thiazol-2(3H)-ylidene)acetone
CID 867848

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one?
The IUPAC name of (1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one (CID 132544036) is (1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one.
What is the SMILES notation for (1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one?
The canonical SMILES for (1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one is CC(=O)/C=C1\SC=C(C)N1c1ccccc1.
What is the InChIKey of (1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one?
The InChIKey is GXUPQVFNRKRBEK-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10-9-16-13(8-11(2)15)14(10)12-6-4-3-5-7-12/h3-9H,1-2H3/b13-8-.
What are the key properties of (1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one?
(1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one has a molecular weight of 231.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one is sourced from PubChem (CID 132544036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).