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

C14H10IN3OS — CID 136739044

IUPAC5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1csc(-c2nc(-c3ccccc3)c(I)c(=O)[nH]2)n1
InChIInChI=1S/C14H10IN3OS/c1-8-7-20-14(16-8)12-17-11(10(15)13(19)18-12)9-5-3-2-4-6-9/h2-7H,1H3,(H,17,18,19)
InChIKeyFPVCJJGPRWOEDZ-UHFFFAOYSA-N
MW395.23 g/mol
LogP3.47
Rot. Bonds2

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

5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136739044) has the molecular formula C14H10IN3OS and a molecular weight of 395.23 g/mol. Its IUPAC name is 5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID136739044
Molecular FormulaC14H10IN3OS
Molecular Weight395.23 g/mol
Exact Mass394.96
IUPAC Name5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1csc(-c2nc(-c3ccccc3)c(I)c(=O)[nH]2)n1
InChIInChI=1S/C14H10IN3OS/c1-8-7-20-14(16-8)12-17-11(10(15)13(19)18-12)9-5-3-2-4-6-9/h2-7H,1H3,(H,17,18,19)
InChIKeyFPVCJJGPRWOEDZ-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 137016841
5-iodo-2-(6-methyl-3-pyridinyl)-4-phenyl-1H-pyrimidin-6-one
CID 136775644
5-iodo-4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136984654
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
5-methoxy-4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 137429404
5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 104770895
2-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one
CID 50959313
2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982286
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-5,6-diphenylpyridin-2-one
CID 18315857
2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764407
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one (CID 136739044) is 5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one is Cc1csc(-c2nc(-c3ccccc3)c(I)c(=O)[nH]2)n1.
What is the InChIKey of 5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is FPVCJJGPRWOEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3OS/c1-8-7-20-14(16-8)12-17-11(10(15)13(19)18-12)9-5-3-2-4-6-9/h2-7H,1H3,(H,17,18,19).
What are the key properties of 5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one?
5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 395.23 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136739044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).