4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole

C15H11ClIN3S — CID 66292710

IUPAC4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cc2nc(Cl)c(I)c(-c3ccccc3)n2)cs1
InChIInChI=1S/C15H11ClIN3S/c1-9-18-11(8-21-9)7-12-19-14(13(17)15(16)20-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeySHCCSFRLQWYZPI-UHFFFAOYSA-N
MW427.70 g/mol
LogP4.76
Rot. Bonds3

About 4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole

4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 66292710) has the molecular formula C15H11ClIN3S and a molecular weight of 427.70 g/mol. Its IUPAC name is 4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID66292710
Molecular FormulaC15H11ClIN3S
Molecular Weight427.70 g/mol
Exact Mass426.94
IUPAC Name4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cc2nc(Cl)c(I)c(-c3ccccc3)n2)cs1
InChIInChI=1S/C15H11ClIN3S/c1-9-18-11(8-21-9)7-12-19-14(13(17)15(16)20-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeySHCCSFRLQWYZPI-UHFFFAOYSA-N
XLogP4.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.70
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole (CID 66292710) is 4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole is Cc1nc(Cc2nc(Cl)c(I)c(-c3ccccc3)n2)cs1.
What is the InChIKey of 4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is SHCCSFRLQWYZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClIN3S/c1-9-18-11(8-21-9)7-12-19-14(13(17)15(16)20-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole?
4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 427.70 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 66292710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).