N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

C13H17N3OS3 — CID 4190979

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCC(C)Cc1nnc(NC(=O)CSCc2cccs2)s1
InChIInChI=1S/C13H17N3OS3/c1-9(2)6-12-15-16-13(20-12)14-11(17)8-18-7-10-4-3-5-19-10/h3-5,9H,6-8H2,1-2H3,(H,14,16,17)
InChIKeyIMJBPGOYNACVRI-UHFFFAOYSA-N
MW327.50 g/mol
LogP3.67
Rot. Bonds7

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 4190979) has the molecular formula C13H17N3OS3 and a molecular weight of 327.50 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID4190979
Molecular FormulaC13H17N3OS3
Molecular Weight327.50 g/mol
Exact Mass327.05
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCC(C)Cc1nnc(NC(=O)CSCc2cccs2)s1
InChIInChI=1S/C13H17N3OS3/c1-9(2)6-12-15-16-13(20-12)14-11(17)8-18-7-10-4-3-5-19-10/h3-5,9H,6-8H2,1-2H3,(H,14,16,17)
InChIKeyIMJBPGOYNACVRI-UHFFFAOYSA-N
XLogP3.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 30723998
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 24818075
2-(4-bromophenyl)sulfanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 26068314
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474533
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358114
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
2-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 8750095
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16548026

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 4190979) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is CC(C)Cc1nnc(NC(=O)CSCc2cccs2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is IMJBPGOYNACVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS3/c1-9(2)6-12-15-16-13(20-12)14-11(17)8-18-7-10-4-3-5-19-10/h3-5,9H,6-8H2,1-2H3,(H,14,16,17).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 327.50 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 4190979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).