(2-amino-5-ethylthiophen-3-yl)-phenylmethanone

C13H13NOS — CID 827127

IUPAC(2-amino-5-ethylthiophen-3-yl)-phenylmethanone
SMILESCCc1cc(C(=O)c2ccccc2)c(N)s1
InChIInChI=1S/C13H13NOS/c1-2-10-8-11(13(14)16-10)12(15)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
InChIKeyKYEZNJNZIIRRKG-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.12
Rot. Bonds3

About (2-amino-5-ethylthiophen-3-yl)-phenylmethanone

(2-amino-5-ethylthiophen-3-yl)-phenylmethanone (PubChem CID 827127) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is (2-amino-5-ethylthiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-5-ethylthiophen-3-yl)-phenylmethanone
PubChem CID827127
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name(2-amino-5-ethylthiophen-3-yl)-phenylmethanone
SMILESCCc1cc(C(=O)c2ccccc2)c(N)s1
InChIInChI=1S/C13H13NOS/c1-2-10-8-11(13(14)16-10)12(15)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
InChIKeyKYEZNJNZIIRRKG-UHFFFAOYSA-N
XLogP3.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-ethylthiophen-3-yl)-phenylmethanone?
The IUPAC name of (2-amino-5-ethylthiophen-3-yl)-phenylmethanone (CID 827127) is (2-amino-5-ethylthiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-5-ethylthiophen-3-yl)-phenylmethanone?
The canonical SMILES for (2-amino-5-ethylthiophen-3-yl)-phenylmethanone is CCc1cc(C(=O)c2ccccc2)c(N)s1.
What is the InChIKey of (2-amino-5-ethylthiophen-3-yl)-phenylmethanone?
The InChIKey is KYEZNJNZIIRRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-2-10-8-11(13(14)16-10)12(15)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3.
What are the key properties of (2-amino-5-ethylthiophen-3-yl)-phenylmethanone?
(2-amino-5-ethylthiophen-3-yl)-phenylmethanone has a molecular weight of 231.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-ethylthiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 827127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).