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

C13H14N4OS2 — CID 2644916

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)NC1CC1
InChIInChI=1S/C13H14N4OS2/c18-11(14-10-6-7-10)8-19-13-17-16-12(20-13)15-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,15,16)
InChIKeyYWMICLXTMUVTGJ-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.65
Rot. Bonds6

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

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide (PubChem CID 2644916) has the molecular formula C13H14N4OS2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide
PubChem CID2644916
Molecular FormulaC13H14N4OS2
Molecular Weight306.42 g/mol
Exact Mass306.06
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide
SMILESO=C(CSc1nnc(Nc2ccccc2)s1)NC1CC1
InChIInChI=1S/C13H14N4OS2/c18-11(14-10-6-7-10)8-19-13-17-16-12(20-13)15-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,15,16)
InChIKeyYWMICLXTMUVTGJ-UHFFFAOYSA-N
XLogP2.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide (CID 2644916) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide is O=C(CSc1nnc(Nc2ccccc2)s1)NC1CC1.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide?
The InChIKey is YWMICLXTMUVTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS2/c18-11(14-10-6-7-10)8-19-13-17-16-12(20-13)15-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,15,16).
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide has a molecular weight of 306.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-cyclopropylacetamide is sourced from PubChem (CID 2644916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).