5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole

C9H11ClINOS — CID 126983693

IUPAC5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole
SMILESCC1(CI)CCC(c2ncc(Cl)s2)O1
InChIInChI=1S/C9H11ClINOS/c1-9(5-11)3-2-6(13-9)8-12-4-7(10)14-8/h4,6H,2-3,5H2,1H3
InChIKeyIDYLBQLIKGKXSA-UHFFFAOYSA-N
MW343.62 g/mol
LogP3.84
Rot. Bonds2

About 5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole

5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole (PubChem CID 126983693) has the molecular formula C9H11ClINOS and a molecular weight of 343.62 g/mol. Its IUPAC name is 5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole
PubChem CID126983693
Molecular FormulaC9H11ClINOS
Molecular Weight343.62 g/mol
Exact Mass342.93
IUPAC Name5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole
SMILESCC1(CI)CCC(c2ncc(Cl)s2)O1
InChIInChI=1S/C9H11ClINOS/c1-9(5-11)3-2-6(13-9)8-12-4-7(10)14-8/h4,6H,2-3,5H2,1H3
InChIKeyIDYLBQLIKGKXSA-UHFFFAOYSA-N
XLogP3.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole (CID 126983693) is 5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole is CC1(CI)CCC(c2ncc(Cl)s2)O1.
What is the InChIKey of 5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole?
The InChIKey is IDYLBQLIKGKXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClINOS/c1-9(5-11)3-2-6(13-9)8-12-4-7(10)14-8/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole?
5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole has a molecular weight of 343.62 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole is sourced from PubChem (CID 126983693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).