2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

C16H19N3O2S2 — CID 4571574

IUPAC2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)NCC3CCCO3)n2)c1
InChIInChI=1S/C16H19N3O2S2/c1-11-4-2-5-12(8-11)15-18-16(23-19-15)22-10-14(20)17-9-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,17,20)
InChIKeyPUJUWMUTEIBLSO-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.90
Rot. Bonds6

About 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 4571574) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID4571574
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)NCC3CCCO3)n2)c1
InChIInChI=1S/C16H19N3O2S2/c1-11-4-2-5-12(8-11)15-18-16(23-19-15)22-10-14(20)17-9-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,17,20)
InChIKeyPUJUWMUTEIBLSO-UHFFFAOYSA-N
XLogP2.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamido)acetate
CID 5183345
Ethyl 2-[[2-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]amino]acetate
CID 7119349
Ethyl 2-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetamido)acetate
CID 7119291
1-(Pyrrolidin-1-yl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)ethanone
CID 3242714
N-[(oxolan-2-yl)methyl]-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 18554663
N-((tetrahydrofuran-2-yl)methyl)-2-((3-(p-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 16188367
2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 16252625
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 3992086
2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 4409182
N-(4-fluorobenzyl)-2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 4571571
2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(tetrahydro-2-furanylmethyl)acetamide
CID 15978159
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
CID 18228746

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 4571574) is 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is Cc1cccc(-c2nsc(SCC(=O)NCC3CCCO3)n2)c1.
What is the InChIKey of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PUJUWMUTEIBLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-11-4-2-5-12(8-11)15-18-16(23-19-15)22-10-14(20)17-9-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,17,20).
What are the key properties of 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 4571574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).