4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine

C16H19N3O2S2 — CID 122142418

IUPAC4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
SMILESc1cc2c(cc1CCSc1nnc(N3CCOCC3)s1)CCO2
InChIInChI=1S/C16H19N3O2S2/c1-2-14-13(3-7-21-14)11-12(1)4-10-22-16-18-17-15(23-16)19-5-8-20-9-6-19/h1-2,11H,3-10H2
InChIKeyRMLYJOMGDSCBDQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.64
Rot. Bonds5

About 4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine

4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine (PubChem CID 122142418) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
PubChem CID122142418
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
SMILESc1cc2c(cc1CCSc1nnc(N3CCOCC3)s1)CCO2
InChIInChI=1S/C16H19N3O2S2/c1-2-14-13(3-7-21-14)11-12(1)4-10-22-16-18-17-15(23-16)19-5-8-20-9-6-19/h1-2,11H,3-10H2
InChIKeyRMLYJOMGDSCBDQ-UHFFFAOYSA-N
XLogP2.64
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine 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-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenol
CID 65445169
[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]phenyl]methanol
CID 66348162
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149405
4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165433606
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 43804102
2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole
CID 30863381
2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole
CID 47983559
4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 95220434
5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine (CID 122142418) is 4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine is c1cc2c(cc1CCSc1nnc(N3CCOCC3)s1)CCO2.
What is the InChIKey of 4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine?
The InChIKey is RMLYJOMGDSCBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-2-14-13(3-7-21-14)11-12(1)4-10-22-16-18-17-15(23-16)19-5-8-20-9-6-19/h1-2,11H,3-10H2.
What are the key properties of 4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine?
4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine has a molecular weight of 349.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine is sourced from PubChem (CID 122142418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).