2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C7H3ClIN3O2S — CID 107124632

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ncc(Cl)s2)nc(O)c1I
InChIInChI=1S/C7H3ClIN3O2S/c8-2-1-10-7(15-2)4-11-5(13)3(9)6(14)12-4/h1H,(H2,11,12,13,14)
InChIKeyPTQBQVLVKLNARK-UHFFFAOYSA-N
MW355.54 g/mol
LogP1.86
Rot. Bonds1

About 2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 107124632) has the molecular formula C7H3ClIN3O2S and a molecular weight of 355.54 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID107124632
Molecular FormulaC7H3ClIN3O2S
Molecular Weight355.54 g/mol
Exact Mass354.87
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ncc(Cl)s2)nc(O)c1I
InChIInChI=1S/C7H3ClIN3O2S/c8-2-1-10-7(15-2)4-11-5(13)3(9)6(14)12-4/h1H,(H2,11,12,13,14)
InChIKeyPTQBQVLVKLNARK-UHFFFAOYSA-N
XLogP1.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.54
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136917806
2-(5-bromothiophen-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285974
4-hydroxy-5-iodo-2-(6-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 104822795
2-(5-chloro-1,3-thiazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 107125453
4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 66285358
2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66312316
4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one
CID 66314256
2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66311923
4-hydroxy-5-iodo-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 66285779
2-(3,5-dichloro-2-pyridinyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 79786248
4-hydroxy-5-iodo-2-(4-methoxy-3-methylphenyl)-1H-pyrimidin-6-one
CID 66313095
2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107125357

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 107124632) is 2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is O=c1[nH]c(-c2ncc(Cl)s2)nc(O)c1I.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PTQBQVLVKLNARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClIN3O2S/c8-2-1-10-7(15-2)4-11-5(13)3(9)6(14)12-4/h1H,(H2,11,12,13,14).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 355.54 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 107124632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).