3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C9H7IN2OS2 — CID 130576160

IUPAC3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1cnc(NC(=O)c2sccc2I)s1
InChIInChI=1S/C9H7IN2OS2/c1-5-4-11-9(15-5)12-8(13)7-6(10)2-3-14-7/h2-4H,1H3,(H,11,12,13)
InChIKeyPAWJRHVAHFKXFO-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.37
Rot. Bonds2

About 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 130576160) has the molecular formula C9H7IN2OS2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID130576160
Molecular FormulaC9H7IN2OS2
Molecular Weight350.21 g/mol
Exact Mass349.90
IUPAC Name3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1cnc(NC(=O)c2sccc2I)s1
InChIInChI=1S/C9H7IN2OS2/c1-5-4-11-9(15-5)12-8(13)7-6(10)2-3-14-7/h2-4H,1H3,(H,11,12,13)
InChIKeyPAWJRHVAHFKXFO-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-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

3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide
CID 130992683
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
N-(5-methyl-1,3-thiazol-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813731
4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17190908
N-hydroxy-3-iodothiophene-2-carboxamide
CID 130576418
6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66463454
2-benzamido-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 35935216
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8919323
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 130576160) is 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is Cc1cnc(NC(=O)c2sccc2I)s1.
What is the InChIKey of 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is PAWJRHVAHFKXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2OS2/c1-5-4-11-9(15-5)12-8(13)7-6(10)2-3-14-7/h2-4H,1H3,(H,11,12,13).
What are the key properties of 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 350.21 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 130576160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).