(5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one

C10H6Cl2N2OS — CID 20787767

IUPAC(5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one
SMILESNC1=NC(=O)S/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C10H6Cl2N2OS/c11-6-2-1-3-7(12)5(6)4-8-9(13)14-10(15)16-8/h1-4H,(H2,13,14,15)/b8-4-
InChIKeyKMNGIJCCRAGJHH-YWEYNIOJSA-N
MW273.14 g/mol
LogP3.56
Rot. Bonds1

About (5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one

(5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one (PubChem CID 20787767) has the molecular formula C10H6Cl2N2OS and a molecular weight of 273.14 g/mol. Its IUPAC name is (5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one.

Molecular Properties

Compound Name(5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one
PubChem CID20787767
Molecular FormulaC10H6Cl2N2OS
Molecular Weight273.14 g/mol
Exact Mass271.96
IUPAC Name(5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one
SMILESNC1=NC(=O)S/C1=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C10H6Cl2N2OS/c11-6-2-1-3-7(12)5(6)4-8-9(13)14-10(15)16-8/h1-4H,(H2,13,14,15)/b8-4-
InChIKeyKMNGIJCCRAGJHH-YWEYNIOJSA-N
XLogP3.56
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one
CID 4737174
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2252407
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 717351
(5Z)-3-[(2S)-butan-2-yl]-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2131269
(5Z)-3-(5-chloro-2-pyridinyl)-5-[(2,6-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122714024
(3Z)-3-[(2,6-dichlorophenyl)methylidene]-4-propan-2-ylideneoxolane-2,5-dione
CID 10063189
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(2,3-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18839798
(5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one
CID 67502490
3-(chloromethyl)-4-[(2,6-dichlorophenyl)methylidene]-1,2-oxazol-5-one
CID 53407389
(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one
CID 2226730
(5Z)-3-[(2-chloroanilino)methyl]-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6263415
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18840004

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one?
The IUPAC name of (5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one (CID 20787767) is (5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one.
What is the SMILES notation for (5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one?
The canonical SMILES for (5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one is NC1=NC(=O)S/C1=C\c1c(Cl)cccc1Cl.
What is the InChIKey of (5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one?
The InChIKey is KMNGIJCCRAGJHH-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H6Cl2N2OS/c11-6-2-1-3-7(12)5(6)4-8-9(13)14-10(15)16-8/h1-4H,(H2,13,14,15)/b8-4-.
What are the key properties of (5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one?
(5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one has a molecular weight of 273.14 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one is sourced from PubChem (CID 20787767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).