2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide

C6H9N5OS — CID 114912417

IUPAC2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide
SMILESO=C(CC1CNC1)Nc1nnns1
InChIInChI=1S/C6H9N5OS/c12-5(1-4-2-7-3-4)8-6-9-10-11-13-6/h4,7H,1-3H2,(H,8,9,11,12)
InChIKeyZNMKUUHVVZRQSH-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.52
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide

2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide (PubChem CID 114912417) has the molecular formula C6H9N5OS and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide
PubChem CID114912417
Molecular FormulaC6H9N5OS
Molecular Weight199.24 g/mol
Exact Mass199.05
IUPAC Name2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide
SMILESO=C(CC1CNC1)Nc1nnns1
InChIInChI=1S/C6H9N5OS/c12-5(1-4-2-7-3-4)8-6-9-10-11-13-6/h4,7H,1-3H2,(H,8,9,11,12)
InChIKeyZNMKUUHVVZRQSH-UHFFFAOYSA-N
XLogP-0.52
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azetidin-3-yl)-N-(thiadiazol-5-yl)acetamide
CID 114912210
N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)acetamide
CID 64612276
3-(cyclopropylamino)-N-(thiatriazol-5-yl)propanamide
CID 114912484
2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)acetamide
CID 114387609
2-piperidin-3-yl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 62674692
5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402488
2-(azetidin-3-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 64618955
2-(azetidin-3-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 64617953
2-(azetidin-3-yl)-N-hydroxyacetamide
CID 64611037
3-amino-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide
CID 114912547
2-(azetidin-3-yl)-N-(1H-imidazol-2-yl)acetamide
CID 64610826
2-[8-(thiatriazol-5-ylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114913490

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide (CID 114912417) is 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide is O=C(CC1CNC1)Nc1nnns1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide?
The InChIKey is ZNMKUUHVVZRQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5OS/c12-5(1-4-2-7-3-4)8-6-9-10-11-13-6/h4,7H,1-3H2,(H,8,9,11,12).
What are the key properties of 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide?
2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide has a molecular weight of 199.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide is sourced from PubChem (CID 114912417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).