N-iodo-5-methyl-1,3-thiazole-2-carboxamide

C5H5IN2OS — CID 130207524

IUPACN-iodo-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NI)s1
InChIInChI=1S/C5H5IN2OS/c1-3-2-7-5(10-3)4(9)8-6/h2H,1H3,(H,8,9)
InChIKeyXFKPHBGSCAUELM-UHFFFAOYSA-N
MW268.08 g/mol
LogP1.53
Rot. Bonds1

About N-iodo-5-methyl-1,3-thiazole-2-carboxamide

N-iodo-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 130207524) has the molecular formula C5H5IN2OS and a molecular weight of 268.08 g/mol. Its IUPAC name is N-iodo-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-iodo-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID130207524
Molecular FormulaC5H5IN2OS
Molecular Weight268.08 g/mol
Exact Mass267.92
IUPAC NameN-iodo-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NI)s1
InChIInChI=1S/C5H5IN2OS/c1-3-2-7-5(10-3)4(9)8-6/h2H,1H3,(H,8,9)
InChIKeyXFKPHBGSCAUELM-UHFFFAOYSA-N
XLogP1.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 51.53
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 N-iodo-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-iodo-5-methyl-1,3-thiazole-2-carboxamide (CID 130207524) is N-iodo-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-iodo-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-iodo-5-methyl-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)NI)s1.
What is the InChIKey of N-iodo-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is XFKPHBGSCAUELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2OS/c1-3-2-7-5(10-3)4(9)8-6/h2H,1H3,(H,8,9).
What are the key properties of N-iodo-5-methyl-1,3-thiazole-2-carboxamide?
N-iodo-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 268.08 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130207524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).