N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide

C8H11N3O2S — CID 86801037

IUPACN-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide
SMILESO=C(Cn1ncsc1=O)NCC1CC1
InChIInChI=1S/C8H11N3O2S/c12-7(9-3-6-1-2-6)4-11-8(13)14-5-10-11/h5-6H,1-4H2,(H,9,12)
InChIKeyZIZMYMIJQYVEAG-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.17
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide

N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide (PubChem CID 86801037) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide
PubChem CID86801037
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide
SMILESO=C(Cn1ncsc1=O)NCC1CC1
InChIInChI=1S/C8H11N3O2S/c12-7(9-3-6-1-2-6)4-11-8(13)14-5-10-11/h5-6H,1-4H2,(H,9,12)
InChIKeyZIZMYMIJQYVEAG-UHFFFAOYSA-N
XLogP-0.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide (CID 86801037) is N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide is O=C(Cn1ncsc1=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide?
The InChIKey is ZIZMYMIJQYVEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-7(9-3-6-1-2-6)4-11-8(13)14-5-10-11/h5-6H,1-4H2,(H,9,12).
What are the key properties of N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide?
N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide has a molecular weight of 213.26 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2-oxo-1,3,4-thiadiazol-3-yl)acetamide is sourced from PubChem (CID 86801037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).