4-chloro-5-hexyl-2-iodo-1,3-thiazole

C9H13ClINS — CID 58017998

IUPAC4-chloro-5-hexyl-2-iodo-1,3-thiazole
SMILESCCCCCCc1sc(I)nc1Cl
InChIInChI=1S/C9H13ClINS/c1-2-3-4-5-6-7-8(10)12-9(11)13-7/h2-6H2,1H3
InChIKeySUWBPUIVMGGKMT-UHFFFAOYSA-N
MW329.63 g/mol
LogP4.52
Rot. Bonds5

About 4-chloro-5-hexyl-2-iodo-1,3-thiazole

4-chloro-5-hexyl-2-iodo-1,3-thiazole (PubChem CID 58017998) has the molecular formula C9H13ClINS and a molecular weight of 329.63 g/mol. Its IUPAC name is 4-chloro-5-hexyl-2-iodo-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-hexyl-2-iodo-1,3-thiazole
PubChem CID58017998
Molecular FormulaC9H13ClINS
Molecular Weight329.63 g/mol
Exact Mass328.95
IUPAC Name4-chloro-5-hexyl-2-iodo-1,3-thiazole
SMILESCCCCCCc1sc(I)nc1Cl
InChIInChI=1S/C9H13ClINS/c1-2-3-4-5-6-7-8(10)12-9(11)13-7/h2-6H2,1H3
InChIKeySUWBPUIVMGGKMT-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,4-dihexylpyrrolo[3,4-c]pyrrole-3,6-dione
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2-bromo-5-pentyl-1,3-thiazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hexyl-2-iodo-1,3-thiazole?
The IUPAC name of 4-chloro-5-hexyl-2-iodo-1,3-thiazole (CID 58017998) is 4-chloro-5-hexyl-2-iodo-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-hexyl-2-iodo-1,3-thiazole?
The canonical SMILES for 4-chloro-5-hexyl-2-iodo-1,3-thiazole is CCCCCCc1sc(I)nc1Cl.
What is the InChIKey of 4-chloro-5-hexyl-2-iodo-1,3-thiazole?
The InChIKey is SUWBPUIVMGGKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClINS/c1-2-3-4-5-6-7-8(10)12-9(11)13-7/h2-6H2,1H3.
What are the key properties of 4-chloro-5-hexyl-2-iodo-1,3-thiazole?
4-chloro-5-hexyl-2-iodo-1,3-thiazole has a molecular weight of 329.63 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hexyl-2-iodo-1,3-thiazole is sourced from PubChem (CID 58017998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).