5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine

C13H13N3S — CID 82386183

IUPAC5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine
SMILESCCc1sc(N)cc1-c1cc2cc[nH]c2cn1
InChIInChI=1S/C13H13N3S/c1-2-12-9(6-13(14)17-12)10-5-8-3-4-15-11(8)7-16-10/h3-7,15H,2,14H2,1H3
InChIKeyIYBUFQKJSAPTKI-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.44
Rot. Bonds2

About 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine

5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine (PubChem CID 82386183) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine
PubChem CID82386183
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine
SMILESCCc1sc(N)cc1-c1cc2cc[nH]c2cn1
InChIInChI=1S/C13H13N3S/c1-2-12-9(6-13(14)17-12)10-5-8-3-4-15-11(8)7-16-10/h3-7,15H,2,14H2,1H3
InChIKeyIYBUFQKJSAPTKI-UHFFFAOYSA-N
XLogP3.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine?
The IUPAC name of 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine (CID 82386183) is 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine.
What is the SMILES notation for 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine?
The canonical SMILES for 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine is CCc1sc(N)cc1-c1cc2cc[nH]c2cn1.
What is the InChIKey of 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine?
The InChIKey is IYBUFQKJSAPTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-2-12-9(6-13(14)17-12)10-5-8-3-4-15-11(8)7-16-10/h3-7,15H,2,14H2,1H3.
What are the key properties of 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine?
5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-5-yl)thiophen-2-amine is sourced from PubChem (CID 82386183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).