2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid

C14H17N3O3S — CID 43357509

IUPAC2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid
SMILESCCCC(CC(=O)Nc1sccc1C(=O)O)n1ccnc1
InChIInChI=1S/C14H17N3O3S/c1-2-3-10(17-6-5-15-9-17)8-12(18)16-13-11(14(19)20)4-7-21-13/h4-7,9-10H,2-3,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyIXVZFCGKZJOSRU-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.01
Rot. Bonds7

About 2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid

2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid (PubChem CID 43357509) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid
PubChem CID43357509
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid
SMILESCCCC(CC(=O)Nc1sccc1C(=O)O)n1ccnc1
InChIInChI=1S/C14H17N3O3S/c1-2-3-10(17-6-5-15-9-17)8-12(18)16-13-11(14(19)20)4-7-21-13/h4-7,9-10H,2-3,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyIXVZFCGKZJOSRU-UHFFFAOYSA-N
XLogP3.01
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid (CID 43357509) is 2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid is CCCC(CC(=O)Nc1sccc1C(=O)O)n1ccnc1.
What is the InChIKey of 2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid?
The InChIKey is IXVZFCGKZJOSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-3-10(17-6-5-15-9-17)8-12(18)16-13-11(14(19)20)4-7-21-13/h4-7,9-10H,2-3,8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid?
2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 43357509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).