4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one

C10H7ClN2OS — CID 4737174

IUPAC4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one
SMILESNC1=NC(=O)SC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2OS/c11-7-3-1-6(2-4-7)5-8-9(12)13-10(14)15-8/h1-5H,(H2,12,13,14)
InChIKeyPAQCNGASJGYLHA-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.90
Rot. Bonds1

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

4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one (PubChem CID 4737174) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is 4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one
PubChem CID4737174
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one
SMILESNC1=NC(=O)SC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2OS/c11-7-3-1-6(2-4-7)5-8-9(12)13-10(14)15-8/h1-5H,(H2,12,13,14)
InChIKeyPAQCNGASJGYLHA-UHFFFAOYSA-N
XLogP2.90
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.90
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

(5Z)-4-amino-5-[(2,6-dichlorophenyl)methylidene]-1,3-thiazol-2-one
CID 20787767
(5Z)-4-amino-5-[[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]methylidene]-1,3-thiazol-2-one
CID 27317331
[4-[(Z)-(4-amino-2-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenyl] (2E)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetate
CID 16627394
4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzaldehyde
CID 1201096
(5Z)-3-(4-chlorobenzoyl)-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6153402
(6E)-6-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
CID 6449139
(5Z)-4-amino-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-2-one
CID 67502490
5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3746545
(5Z)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 88888294
4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one
CID 712140
(2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 2302262
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2181127

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one?
The IUPAC name of 4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one (CID 4737174) is 4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one.
What is the SMILES notation for 4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one?
The canonical SMILES for 4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one is NC1=NC(=O)SC1=Cc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one?
The InChIKey is PAQCNGASJGYLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-7-3-1-6(2-4-7)5-8-9(12)13-10(14)15-8/h1-5H,(H2,12,13,14).
What are the key properties of 4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one?
4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one has a molecular weight of 238.70 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one is sourced from PubChem (CID 4737174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).