(5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate

C11H7ClN4O4S2 — CID 32552301

IUPAC(5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(Cn1nc(-c2cccs2)oc1=O)OCc1nnsc1Cl
InChIInChI=1S/C11H7ClN4O4S2/c12-9-6(13-15-22-9)5-19-8(17)4-16-11(18)20-10(14-16)7-2-1-3-21-7/h1-3H,4-5H2
InChIKeyIMXAVEDUTJLIHT-UHFFFAOYSA-N
MW358.79 g/mol
LogP1.81
Rot. Bonds5

About (5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate

(5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate (PubChem CID 32552301) has the molecular formula C11H7ClN4O4S2 and a molecular weight of 358.79 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate
PubChem CID32552301
Molecular FormulaC11H7ClN4O4S2
Molecular Weight358.79 g/mol
Exact Mass357.96
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(Cn1nc(-c2cccs2)oc1=O)OCc1nnsc1Cl
InChIInChI=1S/C11H7ClN4O4S2/c12-9-6(13-15-22-9)5-19-8(17)4-16-11(18)20-10(14-16)7-2-1-3-21-7/h1-3H,4-5H2
InChIKeyIMXAVEDUTJLIHT-UHFFFAOYSA-N
XLogP1.81
TPSA100.11 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
(4-bromophenyl)methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46639960
[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea
CID 34006331
3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 95849400
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 38135695
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46675949
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 38135958
(2-ethoxyphenyl)methyl 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46639971
N-(benzylcarbamoyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550672
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
CID 46959372
N-[(4-methoxyphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 26550291

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate (CID 32552301) is (5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate is O=C(Cn1nc(-c2cccs2)oc1=O)OCc1nnsc1Cl.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate?
The InChIKey is IMXAVEDUTJLIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O4S2/c12-9-6(13-15-22-9)5-19-8(17)4-16-11(18)20-10(14-16)7-2-1-3-21-7/h1-3H,4-5H2.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate?
(5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate has a molecular weight of 358.79 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetate is sourced from PubChem (CID 32552301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).