N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

C9H9N3OS2 — CID 651910

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C9H9N3OS2/c1-6-11-12-9(15-6)10-8(13)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,10,12,13)
InChIKeyDHOSDVZDSQSRMS-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.09
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 651910) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID651910
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C9H9N3OS2/c1-6-11-12-9(15-6)10-8(13)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,10,12,13)
InChIKeyDHOSDVZDSQSRMS-UHFFFAOYSA-N
XLogP2.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfonamide deriv., 6
CID 44520900
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451531
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 809020
N-[5-(Ethylthio)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 871907
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 1633446
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2207086
3,3-Dimethyl-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 648154
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 695198
N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 745404
N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 809018

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (CID 651910) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is Cc1nnc(NC(=O)Cc2cccs2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is DHOSDVZDSQSRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-6-11-12-9(15-6)10-8(13)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,10,12,13).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 239.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 651910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).