5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide

C10H9IN2OS2 — CID 78948417

IUPAC5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCc1nccs1)c1csc(I)c1
InChIInChI=1S/C10H9IN2OS2/c11-8-5-7(6-16-8)10(14)13-2-1-9-12-3-4-15-9/h3-6H,1-2H2,(H,13,14)
InChIKeyZZAALZLUCLCZBM-UHFFFAOYSA-N
MW364.23 g/mol
LogP2.78
Rot. Bonds4

About 5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide

5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide (PubChem CID 78948417) has the molecular formula C10H9IN2OS2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
PubChem CID78948417
Molecular FormulaC10H9IN2OS2
Molecular Weight364.23 g/mol
Exact Mass363.92
IUPAC Name5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCc1nccs1)c1csc(I)c1
InChIInChI=1S/C10H9IN2OS2/c11-8-5-7(6-16-8)10(14)13-2-1-9-12-3-4-15-9/h3-6H,1-2H2,(H,13,14)
InChIKeyZZAALZLUCLCZBM-UHFFFAOYSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79690462
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 66462176
4-(bromomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113241891
4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71709739
N-(3-bromopropyl)-5-iodothiophene-3-carboxamide
CID 79693807
N-(4-bromobutyl)-5-iodothiophene-3-carboxamide
CID 106845793
4-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62186873
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide (CID 78948417) is 5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide is O=C(NCCc1nccs1)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is ZZAALZLUCLCZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2OS2/c11-8-5-7(6-16-8)10(14)13-2-1-9-12-3-4-15-9/h3-6H,1-2H2,(H,13,14).
What are the key properties of 5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide?
5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 364.23 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 78948417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).