2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C14H11ClN4O3S2 — CID 2155840

IUPAC2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1nccs1
InChIInChI=1S/C14H11ClN4O3S2/c15-9-1-3-10(4-2-9)21-7-12-18-19-14(22-12)24-8-11(20)17-13-16-5-6-23-13/h1-6H,7-8H2,(H,16,17,20)
InChIKeyLRVWCCNMQJGEHW-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.49
Rot. Bonds7

About 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2155840) has the molecular formula C14H11ClN4O3S2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2155840
Molecular FormulaC14H11ClN4O3S2
Molecular Weight382.85 g/mol
Exact Mass382.00
IUPAC Name2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1nccs1
InChIInChI=1S/C14H11ClN4O3S2/c15-9-1-3-10(4-2-9)21-7-12-18-19-14(22-12)24-8-11(20)17-13-16-5-6-23-13/h1-6H,7-8H2,(H,16,17,20)
InChIKeyLRVWCCNMQJGEHW-UHFFFAOYSA-N
XLogP3.49
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

Acetamide, 2-(2,4-dichlorophenoxy)-N-thiazol-2-yl-
CID 667798
2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 1276990
2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3624109
N-(5-methyl-1,3-thiazol-2-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4542974
2-((5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1,3,4-oxadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 3566321
2-({5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 4264883
2-((5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 1285138
2-(4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2899080
2-(4-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 307016
2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707114
2-(4-Chlorophenoxy)-2-methyl-N-(thiazol-2-yl)propanamide
CID 800397
2-(4-chlorophenoxy)-N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)acetamide
CID 4487866

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 2155840) is 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1nccs1.
What is the InChIKey of 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LRVWCCNMQJGEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O3S2/c15-9-1-3-10(4-2-9)21-7-12-18-19-14(22-12)24-8-11(20)17-13-16-5-6-23-13/h1-6H,7-8H2,(H,16,17,20).
What are the key properties of 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 382.85 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2155840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).