2,5-bis(2-iodopropan-2-yl)-1,3-thiazole

C9H13I2NS — CID 126604102

IUPAC2,5-bis(2-iodopropan-2-yl)-1,3-thiazole
SMILESCC(C)(I)c1cnc(C(C)(C)I)s1
InChIInChI=1S/C9H13I2NS/c1-8(2,10)6-5-12-7(13-6)9(3,4)11/h5H,1-4H3
InChIKeyMGQRPXBOKHVMIN-UHFFFAOYSA-N
MW421.09 g/mol
LogP4.48
Rot. Bonds2

About 2,5-bis(2-iodopropan-2-yl)-1,3-thiazole

2,5-bis(2-iodopropan-2-yl)-1,3-thiazole (PubChem CID 126604102) has the molecular formula C9H13I2NS and a molecular weight of 421.09 g/mol. Its IUPAC name is 2,5-bis(2-iodopropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-bis(2-iodopropan-2-yl)-1,3-thiazole
PubChem CID126604102
Molecular FormulaC9H13I2NS
Molecular Weight421.09 g/mol
Exact Mass420.89
IUPAC Name2,5-bis(2-iodopropan-2-yl)-1,3-thiazole
SMILESCC(C)(I)c1cnc(C(C)(C)I)s1
InChIInChI=1S/C9H13I2NS/c1-8(2,10)6-5-12-7(13-6)9(3,4)11/h5H,1-4H3
InChIKeyMGQRPXBOKHVMIN-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.09
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,5-bis(2-iodopropan-2-yl)-1,3-thiazole?
The IUPAC name of 2,5-bis(2-iodopropan-2-yl)-1,3-thiazole (CID 126604102) is 2,5-bis(2-iodopropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2,5-bis(2-iodopropan-2-yl)-1,3-thiazole?
The canonical SMILES for 2,5-bis(2-iodopropan-2-yl)-1,3-thiazole is CC(C)(I)c1cnc(C(C)(C)I)s1.
What is the InChIKey of 2,5-bis(2-iodopropan-2-yl)-1,3-thiazole?
The InChIKey is MGQRPXBOKHVMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13I2NS/c1-8(2,10)6-5-12-7(13-6)9(3,4)11/h5H,1-4H3.
What are the key properties of 2,5-bis(2-iodopropan-2-yl)-1,3-thiazole?
2,5-bis(2-iodopropan-2-yl)-1,3-thiazole has a molecular weight of 421.09 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-iodopropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 126604102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).