4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide

C10H5Cl2IN2OS — CID 1289877

IUPAC4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1nsc(Cl)c1Cl
InChIInChI=1S/C10H5Cl2IN2OS/c11-7-8(15-17-9(7)12)10(16)14-6-3-1-5(13)2-4-6/h1-4H,(H,14,16)
InChIKeySPAVOQADCSWUKD-UHFFFAOYSA-N
MW399.04 g/mol
LogP4.31
Rot. Bonds2

About 4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide

4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide (PubChem CID 1289877) has the molecular formula C10H5Cl2IN2OS and a molecular weight of 399.04 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide
PubChem CID1289877
Molecular FormulaC10H5Cl2IN2OS
Molecular Weight399.04 g/mol
Exact Mass397.85
IUPAC Name4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1nsc(Cl)c1Cl
InChIInChI=1S/C10H5Cl2IN2OS/c11-7-8(15-17-9(7)12)10(16)14-6-3-1-5(13)2-4-6/h1-4H,(H,14,16)
InChIKeySPAVOQADCSWUKD-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.04
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide (CID 1289877) is 4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide is O=C(Nc1ccc(I)cc1)c1nsc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is SPAVOQADCSWUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2IN2OS/c11-7-8(15-17-9(7)12)10(16)14-6-3-1-5(13)2-4-6/h1-4H,(H,14,16).
What are the key properties of 4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 399.04 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4-iodophenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 1289877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).