2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol

C13H16N2OS — CID 104755790

IUPAC2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1ccc(CNCC(O)c2ccsc2)cn1
InChIInChI=1S/C13H16N2OS/c1-10-2-3-11(7-15-10)6-14-8-13(16)12-4-5-17-9-12/h2-5,7,9,13-14,16H,6,8H2,1H3
InChIKeyCDXGNABCDJZCLB-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.27
Rot. Bonds5

About 2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol

2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 104755790) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
PubChem CID104755790
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1ccc(CNCC(O)c2ccsc2)cn1
InChIInChI=1S/C13H16N2OS/c1-10-2-3-11(7-15-10)6-14-8-13(16)12-4-5-17-9-12/h2-5,7,9,13-14,16H,6,8H2,1H3
InChIKeyCDXGNABCDJZCLB-UHFFFAOYSA-N
XLogP2.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol 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-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol
CID 102609668
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
2-[(4-propan-2-yloxyphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103685321
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 106434750
2-[[4-(2,2-difluoroethoxy)phenyl]methylamino]-1-thiophen-3-ylethanol
CID 111467090
2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 11587721
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685180
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol
CID 106435304
2-[(1-ethenylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 107094754
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol (CID 104755790) is 2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol is Cc1ccc(CNCC(O)c2ccsc2)cn1.
What is the InChIKey of 2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is CDXGNABCDJZCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-2-3-11(7-15-10)6-14-8-13(16)12-4-5-17-9-12/h2-5,7,9,13-14,16H,6,8H2,1H3.
What are the key properties of 2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol?
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 248.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 104755790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).