1-iodo-4-methylbenzene;1,3-thiazole

C10H10INS — CID 174697034

IUPAC1-iodo-4-methylbenzene;1,3-thiazole
SMILESCc1ccc(I)cc1.c1cscn1
InChIInChI=1S/C7H7I.C3H3NS/c1-6-2-4-7(8)5-3-6;1-2-5-3-4-1/h2-5H,1H3;1-3H
InChIKeyOVTKQWKHJFNAFU-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.74
Rot. Bonds

About 1-iodo-4-methylbenzene;1,3-thiazole

1-iodo-4-methylbenzene;1,3-thiazole (PubChem CID 174697034) has the molecular formula C10H10INS and a molecular weight of 303.17 g/mol. Its IUPAC name is 1-iodo-4-methylbenzene;1,3-thiazole.

Molecular Properties

Compound Name1-iodo-4-methylbenzene;1,3-thiazole
PubChem CID174697034
Molecular FormulaC10H10INS
Molecular Weight303.17 g/mol
Exact Mass302.96
IUPAC Name1-iodo-4-methylbenzene;1,3-thiazole
SMILESCc1ccc(I)cc1.c1cscn1
InChIInChI=1S/C7H7I.C3H3NS/c1-6-2-4-7(8)5-3-6;1-2-5-3-4-1/h2-5H,1H3;1-3H
InChIKeyOVTKQWKHJFNAFU-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-methylbenzene;1,3-thiazole?
The IUPAC name of 1-iodo-4-methylbenzene;1,3-thiazole (CID 174697034) is 1-iodo-4-methylbenzene;1,3-thiazole.
What is the SMILES notation for 1-iodo-4-methylbenzene;1,3-thiazole?
The canonical SMILES for 1-iodo-4-methylbenzene;1,3-thiazole is Cc1ccc(I)cc1.c1cscn1.
What is the InChIKey of 1-iodo-4-methylbenzene;1,3-thiazole?
The InChIKey is OVTKQWKHJFNAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I.C3H3NS/c1-6-2-4-7(8)5-3-6;1-2-5-3-4-1/h2-5H,1H3;1-3H.
What are the key properties of 1-iodo-4-methylbenzene;1,3-thiazole?
1-iodo-4-methylbenzene;1,3-thiazole has a molecular weight of 303.17 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-methylbenzene;1,3-thiazole is sourced from PubChem (CID 174697034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).