2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole

C19H16N2OS2 — CID 9208208

IUPAC2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole
SMILESc1csc([C@H]2c3ccsc3CCN2Cc2nc3ccccc3o2)c1
InChIInChI=1S/C19H16N2OS2/c1-2-5-15-14(4-1)20-18(22-15)12-21-9-7-16-13(8-11-24-16)19(21)17-6-3-10-23-17/h1-6,8,10-11,19H,7,9,12H2/t19-/m1/s1
InChIKeyDBJAWXZFRWAPEP-LJQANCHMSA-N
MW352.48 g/mol
LogP5.10
Rot. Bonds3

About 2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole

2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole (PubChem CID 9208208) has the molecular formula C19H16N2OS2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole
PubChem CID9208208
Molecular FormulaC19H16N2OS2
Molecular Weight352.48 g/mol
Exact Mass352.07
IUPAC Name2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole
SMILESc1csc([C@H]2c3ccsc3CCN2Cc2nc3ccccc3o2)c1
InChIInChI=1S/C19H16N2OS2/c1-2-5-15-14(4-1)20-18(22-15)12-21-9-7-16-13(8-11-24-16)19(21)17-6-3-10-23-17/h1-6,8,10-11,19H,7,9,12H2/t19-/m1/s1
InChIKeyDBJAWXZFRWAPEP-LJQANCHMSA-N
XLogP5.10
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole with MolForge

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Related Compounds

3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 24648961
2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine
CID 25352181
2-cyclopropyl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
CID 47704366
2-(3-methylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
CID 86911699
5-butyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 75853568
5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 24513127
methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate
CID 24534408
5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid
CID 146134819
1-(azocan-1-yl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9129368
[3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxetan-3-yl]methanol
CID 111976545
1-(2,3-dihydroindol-1-yl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 46615492
2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9129325

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole?
The IUPAC name of 2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole (CID 9208208) is 2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole is c1csc([C@H]2c3ccsc3CCN2Cc2nc3ccccc3o2)c1.
What is the InChIKey of 2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole?
The InChIKey is DBJAWXZFRWAPEP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16N2OS2/c1-2-5-15-14(4-1)20-18(22-15)12-21-9-7-16-13(8-11-24-16)19(21)17-6-3-10-23-17/h1-6,8,10-11,19H,7,9,12H2/t19-/m1/s1.
What are the key properties of 2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole?
2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole has a molecular weight of 352.48 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole is sourced from PubChem (CID 9208208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).