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

C12H11IN2OS — CID 17399100

IUPACN-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(I)c2)s1
InChIInChI=1S/C12H11IN2OS/c1-7-11(17-8(2)14-7)12(16)15-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,15,16)
InChIKeyQIYIJWQORAWWKE-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.62
Rot. Bonds2

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

N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 17399100) has the molecular formula C12H11IN2OS and a molecular weight of 358.20 g/mol. Its IUPAC name is N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID17399100
Molecular FormulaC12H11IN2OS
Molecular Weight358.20 g/mol
Exact Mass357.96
IUPAC NameN-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(I)c2)s1
InChIInChI=1S/C12H11IN2OS/c1-7-11(17-8(2)14-7)12(16)15-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,15,16)
InChIKeyQIYIJWQORAWWKE-UHFFFAOYSA-N
XLogP3.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-5-iodobenzoic acid
CID 45345743
2,4-dimethyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119441008
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 86990195
2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 75395351
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 27195301
N-(4-amino-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114034039
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103824607
2-bromo-5-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 115295780
2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 112758653
N-(4-chloro-2-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103766762

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 17399100) is N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cccc(I)c2)s1.
What is the InChIKey of N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is QIYIJWQORAWWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2OS/c1-7-11(17-8(2)14-7)12(16)15-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,15,16).
What are the key properties of N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 358.20 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17399100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).