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

C10H7ClN2O2S — CID 2940813

IUPAC2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(=Cc2cccc(O)c2Cl)S1
InChIInChI=1S/C10H7ClN2O2S/c11-8-5(2-1-3-6(8)14)4-7-9(15)13-10(12)16-7/h1-4,14H,(H2,12,13,15)
InChIKeyDDPYGPVQZYHHQA-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.97
Rot. Bonds1

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

2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 2940813) has the molecular formula C10H7ClN2O2S and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID2940813
Molecular FormulaC10H7ClN2O2S
Molecular Weight254.70 g/mol
Exact Mass253.99
IUPAC Name2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(=Cc2cccc(O)c2Cl)S1
InChIInChI=1S/C10H7ClN2O2S/c11-8-5(2-1-3-6(8)14)4-7-9(15)13-10(12)16-7/h1-4,14H,(H2,12,13,15)
InChIKeyDDPYGPVQZYHHQA-UHFFFAOYSA-N
XLogP1.97
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-amino-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one
CID 6260214
(5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 18529038
(5E)-2-amino-5-[(5-chloro-3-hydroxy-2-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 56689583
(5E)-2-amino-5-[(3-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 2243866
(5Z)-2-amino-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 6296555
(5Z)-2-amino-5-[[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 2277693
2-amino-5-[[2-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 2895479
2-amino-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 2844140
[4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] benzoate
CID 1232677
(5E)-2-amino-5-(pyridin-4-ylmethylidene)-1,3-thiazol-4-one
CID 2278526
4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]benzaldehyde
CID 1201096
2-amino-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 2828980

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one (CID 2940813) is 2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is NC1=NC(=O)C(=Cc2cccc(O)c2Cl)S1.
What is the InChIKey of 2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is DDPYGPVQZYHHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2S/c11-8-5(2-1-3-6(8)14)4-7-9(15)13-10(12)16-7/h1-4,14H,(H2,12,13,15).
What are the key properties of 2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 254.70 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-chloro-3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 2940813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).