N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide

C8H7IN2OS2 — CID 122157651

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(NC1=NCCS1)c1csc(I)c1
InChIInChI=1S/C8H7IN2OS2/c9-6-3-5(4-14-6)7(12)11-8-10-1-2-13-8/h3-4H,1-2H2,(H,10,11,12)
InChIKeyFJYBLORSJJEYGT-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.19
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide (PubChem CID 122157651) has the molecular formula C8H7IN2OS2 and a molecular weight of 338.20 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
PubChem CID122157651
Molecular FormulaC8H7IN2OS2
Molecular Weight338.20 g/mol
Exact Mass337.90
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
SMILESO=C(NC1=NCCS1)c1csc(I)c1
InChIInChI=1S/C8H7IN2OS2/c9-6-3-5(4-14-6)7(12)11-8-10-1-2-13-8/h3-4H,1-2H2,(H,10,11,12)
InChIKeyFJYBLORSJJEYGT-UHFFFAOYSA-N
XLogP2.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.19
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-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 7534964
3-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 2635778
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4513583
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)benzamide
CID 102046322
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057668
2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 2859080
5-iodo-N-methylthiophene-3-carboxamide
CID 78950138
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 862161
N-(6-amino-1,3-benzodioxol-5-yl)-5-iodothiophene-3-carboxamide
CID 79685249
5-iodo-N-(2,4,6-trifluorophenyl)thiophene-3-carboxamide
CID 79046719
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 55370357
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide
CID 47299837

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide (CID 122157651) is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide is O=C(NC1=NCCS1)c1csc(I)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is FJYBLORSJJEYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2OS2/c9-6-3-5(4-14-6)7(12)11-8-10-1-2-13-8/h3-4H,1-2H2,(H,10,11,12).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 122157651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).