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

C12H13IN2OS2 — CID 78948952

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2csc(I)c2)n1
InChIInChI=1S/C12H13IN2OS2/c1-12(2,3)8-6-18-11(14-8)15-10(16)7-4-9(13)17-5-7/h4-6H,1-3H3,(H,14,15,16)
InChIKeyFGZMMWMSSHUCEZ-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.36
Rot. Bonds2

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide (PubChem CID 78948952) has the molecular formula C12H13IN2OS2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
PubChem CID78948952
Molecular FormulaC12H13IN2OS2
Molecular Weight392.29 g/mol
Exact Mass391.95
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2csc(I)c2)n1
InChIInChI=1S/C12H13IN2OS2/c1-12(2,3)8-6-18-11(14-8)15-10(16)7-4-9(13)17-5-7/h4-6H,1-3H3,(H,14,15,16)
InChIKeyFGZMMWMSSHUCEZ-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.36
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

N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-iodothiophene-3-carboxamide
CID 79692806
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
CID 2800686
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 2477287
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
N-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 4133466
2-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 114326356
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 4619806
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
4-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfonylbenzamide
CID 86875148
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
CID 113323542

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide (CID 78948952) is N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide is CC(C)(C)c1csc(NC(=O)c2csc(I)c2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide?
The InChIKey is FGZMMWMSSHUCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2OS2/c1-12(2,3)8-6-18-11(14-8)15-10(16)7-4-9(13)17-5-7/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).