5-tert-butyl-3-formamidothiophene-2-carboxylic acid

C10H13NO3S — CID 88984867

IUPAC5-tert-butyl-3-formamidothiophene-2-carboxylic acid
SMILESCC(C)(C)c1cc(NC=O)c(C(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-10(2,3)7-4-6(11-5-12)8(15-7)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyOACMHWIYEUAIAN-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.31
Rot. Bonds3

About 5-tert-butyl-3-formamidothiophene-2-carboxylic acid

5-tert-butyl-3-formamidothiophene-2-carboxylic acid (PubChem CID 88984867) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-tert-butyl-3-formamidothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-3-formamidothiophene-2-carboxylic acid
PubChem CID88984867
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name5-tert-butyl-3-formamidothiophene-2-carboxylic acid
SMILESCC(C)(C)c1cc(NC=O)c(C(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-10(2,3)7-4-6(11-5-12)8(15-7)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyOACMHWIYEUAIAN-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-amino-5-tert-butylthiophene-2-carboxylate
CID 2777503
3-(Hexylcarbamoylamino)-5-phenylthiophene-2-carboxylic acid
CID 168279723
3-Acetamido-5-(4-fluorophenyl)thiophene-2-carboxylic acid
CID 21079408
5-Tert-butyl-3-[4-fluoropentyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 66613220
5-Tert-butyl-3-[5-fluoropentan-2-yl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 68266599
5-(4-Fluorocyclohexa-1,5-dien-1-yl)-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 70837915
5-(3-Fluorophenyl)-3-(propan-2-ylamino)thiophene-2-carboxylic acid
CID 71057484
5-Tert-butyl-3-[4-fluoropentan-2-yl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 71101173
5-(4-Fluorophenyl)-3-formamidothiophene-2-carboxylic acid
CID 91168154
5-(2-Methylpropanoyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylic acid
CID 143525483
acetylene;ethene;3-(methylamino)-5-(4,4,4-trifluoro-3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;(2R)-2-methylnonanal;propane
CID 144126229
5-(4-Fluorophenyl)-3-(propan-2-ylamino)thiophene-2-carboxylic acid
CID 153838798

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-formamidothiophene-2-carboxylic acid?
The IUPAC name of 5-tert-butyl-3-formamidothiophene-2-carboxylic acid (CID 88984867) is 5-tert-butyl-3-formamidothiophene-2-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-3-formamidothiophene-2-carboxylic acid?
The canonical SMILES for 5-tert-butyl-3-formamidothiophene-2-carboxylic acid is CC(C)(C)c1cc(NC=O)c(C(=O)O)s1.
What is the InChIKey of 5-tert-butyl-3-formamidothiophene-2-carboxylic acid?
The InChIKey is OACMHWIYEUAIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-10(2,3)7-4-6(11-5-12)8(15-7)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 5-tert-butyl-3-formamidothiophene-2-carboxylic acid?
5-tert-butyl-3-formamidothiophene-2-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-formamidothiophene-2-carboxylic acid is sourced from PubChem (CID 88984867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).