1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone

C17H16N2OS — CID 141140837

IUPAC1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone
SMILESCC(=O)c1cc2c(NCCc3ccccc3)nccc2s1
InChIInChI=1S/C17H16N2OS/c1-12(20)16-11-14-15(21-16)8-10-19-17(14)18-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,19)
InChIKeyMSRXDDQOULFTLQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.15
Rot. Bonds5

About 1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone

1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone (PubChem CID 141140837) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone
PubChem CID141140837
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone
SMILESCC(=O)c1cc2c(NCCc3ccccc3)nccc2s1
InChIInChI=1S/C17H16N2OS/c1-12(20)16-11-14-15(21-16)8-10-19-17(14)18-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,19)
InChIKeyMSRXDDQOULFTLQ-UHFFFAOYSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-(2-phenylethyl)thieno[3,2-c]pyridin-4-amine
CID 141140835
N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54931071
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
2-(2-phenylethylamino)-1,3-thiazole-5-carbohydrazide
CID 156507445
[2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262640
5-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631295
N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861123
5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696786
3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzoic acid
CID 63795475
1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one
CID 158688608
2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110852278
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone?
The IUPAC name of 1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone (CID 141140837) is 1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone is CC(=O)c1cc2c(NCCc3ccccc3)nccc2s1.
What is the InChIKey of 1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone?
The InChIKey is MSRXDDQOULFTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12(20)16-11-14-15(21-16)8-10-19-17(14)18-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H,18,19).
What are the key properties of 1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone?
1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone has a molecular weight of 296.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone is sourced from PubChem (CID 141140837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).