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

C15H12ClN3O2S2 — CID 3239196

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2Cl)ns1)NCc1ccco1
InChIInChI=1S/C15H12ClN3O2S2/c16-12-6-2-1-5-11(12)14-18-15(23-19-14)22-9-13(20)17-8-10-4-3-7-21-10/h1-7H,8-9H2,(H,17,20)
InChIKeyUTGCBXNFYRRIMV-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.86
Rot. Bonds6

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

2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3239196) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3239196
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(-c2ccccc2Cl)ns1)NCc1ccco1
InChIInChI=1S/C15H12ClN3O2S2/c16-12-6-2-1-5-11(12)14-18-15(23-19-14)22-9-13(20)17-8-10-4-3-7-21-10/h1-7H,8-9H2,(H,17,20)
InChIKeyUTGCBXNFYRRIMV-UHFFFAOYSA-N
XLogP3.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 3239196) is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSc1nc(-c2ccccc2Cl)ns1)NCc1ccco1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is UTGCBXNFYRRIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c16-12-6-2-1-5-11(12)14-18-15(23-19-14)22-9-13(20)17-8-10-4-3-7-21-10/h1-7H,8-9H2,(H,17,20).
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 365.87 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3239196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).