5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide

C6H9IN2OS — CID 151721531

IUPAC5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide
SMILESCN(C)C(=O)N1C=C(I)SC1
InChIInChI=1S/C6H9IN2OS/c1-8(2)6(10)9-3-5(7)11-4-9/h3H,4H2,1-2H3
InChIKeyRIRKXHBBEYDIIL-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.91
Rot. Bonds

About 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide

5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide (PubChem CID 151721531) has the molecular formula C6H9IN2OS and a molecular weight of 284.12 g/mol. Its IUPAC name is 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide
PubChem CID151721531
Molecular FormulaC6H9IN2OS
Molecular Weight284.12 g/mol
Exact Mass283.95
IUPAC Name5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide
SMILESCN(C)C(=O)N1C=C(I)SC1
InChIInChI=1S/C6H9IN2OS/c1-8(2)6(10)9-3-5(7)11-4-9/h3H,4H2,1-2H3
InChIKeyRIRKXHBBEYDIIL-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2H-1,3-thiazole-3-carboxamide
CID 154261691
5-iodo-N,N,3-trimethyl-2H-1,3-thiazol-2-amine
CID 156206772
1-Methyl-3-(methylsulfanylmethyl)imidazol-2-one
CID 169814659

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide?
The IUPAC name of 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide (CID 151721531) is 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide.
What is the SMILES notation for 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide?
The canonical SMILES for 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide is CN(C)C(=O)N1C=C(I)SC1.
What is the InChIKey of 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide?
The InChIKey is RIRKXHBBEYDIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2OS/c1-8(2)6(10)9-3-5(7)11-4-9/h3H,4H2,1-2H3.
What are the key properties of 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide?
5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide has a molecular weight of 284.12 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,N-dimethyl-2H-1,3-thiazole-3-carboxamide is sourced from PubChem (CID 151721531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).