2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide

C5H4ClIN2OS — CID 170233024

IUPAC2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide
SMILESO=C(Cc1nc(Cl)cs1)NI
InChIInChI=1S/C5H4ClIN2OS/c6-3-2-11-5(8-3)1-4(10)9-7/h2H,1H2,(H,9,10)
InChIKeyADSWGUCMNVIWQS-UHFFFAOYSA-N
MW302.52 g/mol
LogP1.81
Rot. Bonds2

About 2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide

2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide (PubChem CID 170233024) has the molecular formula C5H4ClIN2OS and a molecular weight of 302.52 g/mol. Its IUPAC name is 2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide.

Molecular Properties

Compound Name2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide
PubChem CID170233024
Molecular FormulaC5H4ClIN2OS
Molecular Weight302.52 g/mol
Exact Mass301.88
IUPAC Name2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide
SMILESO=C(Cc1nc(Cl)cs1)NI
InChIInChI=1S/C5H4ClIN2OS/c6-3-2-11-5(8-3)1-4(10)9-7/h2H,1H2,(H,9,10)
InChIKeyADSWGUCMNVIWQS-UHFFFAOYSA-N
XLogP1.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.52
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide?
The IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide (CID 170233024) is 2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide.
What is the SMILES notation for 2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide?
The canonical SMILES for 2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide is O=C(Cc1nc(Cl)cs1)NI.
What is the InChIKey of 2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide?
The InChIKey is ADSWGUCMNVIWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClIN2OS/c6-3-2-11-5(8-3)1-4(10)9-7/h2H,1H2,(H,9,10).
What are the key properties of 2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide?
2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide has a molecular weight of 302.52 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide is sourced from PubChem (CID 170233024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).