2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole

C14H13ClN4O2S2 — CID 133427701

IUPAC2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
SMILESCC(C)c1nsc(Sc2nnc(COc3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C14H13ClN4O2S2/c1-8(2)12-16-14(23-19-12)22-13-18-17-11(21-13)7-20-10-5-3-9(15)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyLDJRVZPMLYFITF-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.43
Rot. Bonds6

About 2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole

2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole (PubChem CID 133427701) has the molecular formula C14H13ClN4O2S2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
PubChem CID133427701
Molecular FormulaC14H13ClN4O2S2
Molecular Weight368.87 g/mol
Exact Mass368.02
IUPAC Name2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
SMILESCC(C)c1nsc(Sc2nnc(COc3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C14H13ClN4O2S2/c1-8(2)12-16-14(23-19-12)22-13-18-17-11(21-13)7-20-10-5-3-9(15)4-6-10/h3-6,8H,7H2,1-2H3
InChIKeyLDJRVZPMLYFITF-UHFFFAOYSA-N
XLogP4.43
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133427738
(2R)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 7444473
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 133434167
3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
CID 133331545
2-[1-(3-chloro-4-fluorophenyl)ethylsulfanyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 60558751
3-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 30173721
5-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pentanenitrile
CID 112785931
1-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 78763812
2-(4-chlorophenoxy)sulfanyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole
CID 141471112
2-[(4-chlorophenoxy)methyl]-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-oxadiazole
CID 134093044
2-[(4-chlorophenoxy)methyl]-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 38834490
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 112785964

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole (CID 133427701) is 2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole is CC(C)c1nsc(Sc2nnc(COc3ccc(Cl)cc3)o2)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The InChIKey is LDJRVZPMLYFITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S2/c1-8(2)12-16-14(23-19-12)22-13-18-17-11(21-13)7-20-10-5-3-9(15)4-6-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole has a molecular weight of 368.87 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 133427701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).