2-amino-5-tert-butylthiophene-3-carbaldehyde

C9H13NOS — CID 143942884

IUPAC2-amino-5-tert-butylthiophene-3-carbaldehyde
SMILESCC(C)(C)c1cc(C=O)c(N)s1
InChIInChI=1S/C9H13NOS/c1-9(2,3)7-4-6(5-11)8(10)12-7/h4-5H,10H2,1-3H3
InChIKeyILNMTGFPUKZMKI-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.44
Rot. Bonds1

About 2-amino-5-tert-butylthiophene-3-carbaldehyde

2-amino-5-tert-butylthiophene-3-carbaldehyde (PubChem CID 143942884) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-amino-5-tert-butylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-tert-butylthiophene-3-carbaldehyde
PubChem CID143942884
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-amino-5-tert-butylthiophene-3-carbaldehyde
SMILESCC(C)(C)c1cc(C=O)c(N)s1
InChIInChI=1S/C9H13NOS/c1-9(2,3)7-4-6(5-11)8(10)12-7/h4-5H,10H2,1-3H3
InChIKeyILNMTGFPUKZMKI-UHFFFAOYSA-N
XLogP2.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-tert-butylthiophene-3-carbaldehyde?
The IUPAC name of 2-amino-5-tert-butylthiophene-3-carbaldehyde (CID 143942884) is 2-amino-5-tert-butylthiophene-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-tert-butylthiophene-3-carbaldehyde?
The canonical SMILES for 2-amino-5-tert-butylthiophene-3-carbaldehyde is CC(C)(C)c1cc(C=O)c(N)s1.
What is the InChIKey of 2-amino-5-tert-butylthiophene-3-carbaldehyde?
The InChIKey is ILNMTGFPUKZMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(2,3)7-4-6(5-11)8(10)12-7/h4-5H,10H2,1-3H3.
What are the key properties of 2-amino-5-tert-butylthiophene-3-carbaldehyde?
2-amino-5-tert-butylthiophene-3-carbaldehyde has a molecular weight of 183.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-tert-butylthiophene-3-carbaldehyde is sourced from PubChem (CID 143942884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).