[2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

C15H17N3OS — CID 92584927

IUPAC[2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCNc1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccn1
InChIInChI=1S/C15H17N3OS/c1-10-12-5-8-20-13(12)4-7-18(10)15(19)11-3-6-17-14(9-11)16-2/h3,5-6,8-10H,4,7H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyDSHDRNOOJKZHIQ-JTQLQIEISA-N
MW287.39 g/mol
LogP2.94
Rot. Bonds2

About [2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

[2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 92584927) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is [2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID92584927
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name[2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCNc1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccn1
InChIInChI=1S/C15H17N3OS/c1-10-12-5-8-20-13(12)4-7-18(10)15(19)11-3-6-17-14(9-11)16-2/h3,5-6,8-10H,4,7H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyDSHDRNOOJKZHIQ-JTQLQIEISA-N
XLogP2.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone 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

[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-pyridin-3-ylmethanone
CID 47120180
(3-iodophenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8948818
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
2,3-dihydro-1H-indol-5-yl-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93469546
(3-methoxyphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156078
(2-chloro-4-pyridinyl)-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 93418573
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61293484
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3,4,5-triethoxyphenyl)methanone
CID 8948754
3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 8949305
(4-ethoxy-3-methoxyphenyl)-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8949543

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of [2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 92584927) is [2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for [2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is CNc1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccn1.
What is the InChIKey of [2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is DSHDRNOOJKZHIQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-12-5-8-20-13(12)4-7-18(10)15(19)11-3-6-17-14(9-11)16-2/h3,5-6,8-10H,4,7H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of [2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
[2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 287.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 92584927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).