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

C16H16N4O2S2 — CID 2367979

IUPACN-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccccc1Nc1nnc(SCC(=O)NCc2ccco2)s1
InChIInChI=1S/C16H16N4O2S2/c1-11-5-2-3-7-13(11)18-15-19-20-16(24-15)23-10-14(21)17-9-12-6-4-8-22-12/h2-8H,9-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyHHYUUSWXKVESNX-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.59
Rot. Bonds7

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

N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2367979) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID2367979
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccccc1Nc1nnc(SCC(=O)NCc2ccco2)s1
InChIInChI=1S/C16H16N4O2S2/c1-11-5-2-3-7-13(11)18-15-19-20-16(24-15)23-10-14(21)17-9-12-6-4-8-22-12/h2-8H,9-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyHHYUUSWXKVESNX-UHFFFAOYSA-N
XLogP3.59
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 2367979) is N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is Cc1ccccc1Nc1nnc(SCC(=O)NCc2ccco2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is HHYUUSWXKVESNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-11-5-2-3-7-13(11)18-15-19-20-16(24-15)23-10-14(21)17-9-12-6-4-8-22-12/h2-8H,9-10H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2367979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).