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

C9H6Cl2IN3OS — CID 107124705

IUPAC5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole
SMILESCOCc1nc(-c2ncc(Cl)s2)nc(Cl)c1I
InChIInChI=1S/C9H6Cl2IN3OS/c1-16-3-4-6(12)7(11)15-8(14-4)9-13-2-5(10)17-9/h2H,3H2,1H3
InChIKeyOVIRCNIOYCQYTH-UHFFFAOYSA-N
MW402.04 g/mol
LogP3.66
Rot. Bonds3

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

5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole (PubChem CID 107124705) has the molecular formula C9H6Cl2IN3OS and a molecular weight of 402.04 g/mol. Its IUPAC name is 5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole
PubChem CID107124705
Molecular FormulaC9H6Cl2IN3OS
Molecular Weight402.04 g/mol
Exact Mass400.87
IUPAC Name5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole
SMILESCOCc1nc(-c2ncc(Cl)s2)nc(Cl)c1I
InChIInChI=1S/C9H6Cl2IN3OS/c1-16-3-4-6(12)7(11)15-8(14-4)9-13-2-5(10)17-9/h2H,3H2,1H3
InChIKeyOVIRCNIOYCQYTH-UHFFFAOYSA-N
XLogP3.66
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.04
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole (CID 107124705) is 5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole is COCc1nc(-c2ncc(Cl)s2)nc(Cl)c1I.
What is the InChIKey of 5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is OVIRCNIOYCQYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2IN3OS/c1-16-3-4-6(12)7(11)15-8(14-4)9-13-2-5(10)17-9/h2H,3H2,1H3.
What are the key properties of 5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole?
5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 402.04 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 107124705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).