N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide

C13H15N5OS2 — CID 119941368

IUPACN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H15N5OS2/c19-11(7-9-8-20-6-5-14-9)16-13-18-17-12(21-13)10-3-1-2-4-15-10/h1-4,9,14H,5-8H2,(H,16,18,19)
InChIKeyCSDOVLAFLNLNOG-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.63
Rot. Bonds4

About N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide

N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119941368) has the molecular formula C13H15N5OS2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119941368
Molecular FormulaC13H15N5OS2
Molecular Weight321.43 g/mol
Exact Mass321.07
IUPAC NameN-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H15N5OS2/c19-11(7-9-8-20-6-5-14-9)16-13-18-17-12(21-13)10-3-1-2-4-15-10/h1-4,9,14H,5-8H2,(H,16,18,19)
InChIKeyCSDOVLAFLNLNOG-UHFFFAOYSA-N
XLogP1.63
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 119936088
N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 116787040
N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939508
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119935123
N-(2-propan-2-yloxy-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66422480
(2R)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;dihydrochloride
CID 119855707
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940374
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420895
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide
CID 119855706
N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66420730

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide (CID 119941368) is N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is CSDOVLAFLNLNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS2/c19-11(7-9-8-20-6-5-14-9)16-13-18-17-12(21-13)10-3-1-2-4-15-10/h1-4,9,14H,5-8H2,(H,16,18,19).
What are the key properties of N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 321.43 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).