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

C19H23N3OS2 — CID 31404350

IUPAC2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCCc1sc(-c2nnc(CN3CCc4sccc4[C@H]3CC)o2)cc1C
InChIInChI=1S/C19H23N3OS2/c1-4-14-13-7-9-24-16(13)6-8-22(14)11-18-20-21-19(23-18)17-10-12(3)15(5-2)25-17/h7,9-10,14H,4-6,8,11H2,1-3H3/t14-/m1/s1
InChIKeyKPTCEBBVUUHBNP-CQSZACIVSA-N
MW373.55 g/mol
LogP5.24
Rot. Bonds5

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

2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 31404350) has the molecular formula C19H23N3OS2 and a molecular weight of 373.55 g/mol. Its IUPAC name is 2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID31404350
Molecular FormulaC19H23N3OS2
Molecular Weight373.55 g/mol
Exact Mass373.13
IUPAC Name2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCCc1sc(-c2nnc(CN3CCc4sccc4[C@H]3CC)o2)cc1C
InChIInChI=1S/C19H23N3OS2/c1-4-14-13-7-9-24-16(13)6-8-22(14)11-18-20-21-19(23-18)17-10-12(3)15(5-2)25-17/h7,9-10,14H,4-6,8,11H2,1-3H3/t14-/m1/s1
InChIKeyKPTCEBBVUUHBNP-CQSZACIVSA-N
XLogP5.24
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.55
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-6,7-dimethylchromen-2-one
CID 8999601
4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide
CID 31315480
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
7-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 94182681
3-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-5-methyl-1,3,4-thiadiazole-2-thione
CID 47120277
2-tert-butyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
CID 56812122
2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 146134856
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-2-ol
CID 110932538
1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 166216793
(4S)-4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51500136
4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 171667594
2-(5-ethyl-4-methylthiophen-2-yl)-5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazole
CID 17423111

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole (CID 31404350) is 2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole is CCc1sc(-c2nnc(CN3CCc4sccc4[C@H]3CC)o2)cc1C.
What is the InChIKey of 2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is KPTCEBBVUUHBNP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3OS2/c1-4-14-13-7-9-24-16(13)6-8-22(14)11-18-20-21-19(23-18)17-10-12(3)15(5-2)25-17/h7,9-10,14H,4-6,8,11H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole?
2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 373.55 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 31404350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).