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

C16H16N4O2S2 — CID 8000018

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C16H16N4O2S2/c1-20(10-13-8-5-9-22-13)14(21)11-23-16-19-18-15(24-16)17-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyUKERJJRRDIAJFL-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.63
Rot. Bonds7

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

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 8000018) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID8000018
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C16H16N4O2S2/c1-20(10-13-8-5-9-22-13)14(21)11-23-16-19-18-15(24-16)17-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyUKERJJRRDIAJFL-UHFFFAOYSA-N
XLogP3.63
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9221305
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 37135406
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51190944
N-(furan-2-ylmethyl)-N-methyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664625
N-[(4-fluorophenyl)methyl]-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 51210264
N-benzyl-N-(furan-2-ylmethyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 34368407
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-bis[(2R)-butan-2-yl]acetamide
CID 8848834
N-methyl-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 8911488
N-methyl-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 7378195
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 40682684
N-(2-cyanopropan-2-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 8541976
N-[(5-chlorothiophen-2-yl)methyl]-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 24519499

Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 8000018) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)CSc1nnc(Nc2ccccc2)s1.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is UKERJJRRDIAJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-20(10-13-8-5-9-22-13)14(21)11-23-16-19-18-15(24-16)17-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,17,18).
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 360.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 8000018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).