2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide

C10H9N3OS3 — CID 142921743

IUPAC2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide
SMILESO=C(CSc1ncc(-c2ccncc2)s1)NS
InChIInChI=1S/C10H9N3OS3/c14-9(13-15)6-16-10-12-5-8(17-10)7-1-3-11-4-2-7/h1-5,15H,6H2,(H,13,14)
InChIKeyCMYWLQIWXAUPIE-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.26
Rot. Bonds4

About 2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide

2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide (PubChem CID 142921743) has the molecular formula C10H9N3OS3 and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide.

Molecular Properties

Compound Name2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide
PubChem CID142921743
Molecular FormulaC10H9N3OS3
Molecular Weight283.40 g/mol
Exact Mass282.99
IUPAC Name2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide
SMILESO=C(CSc1ncc(-c2ccncc2)s1)NS
InChIInChI=1S/C10H9N3OS3/c14-9(13-15)6-16-10-12-5-8(17-10)7-1-3-11-4-2-7/h1-5,15H,6H2,(H,13,14)
InChIKeyCMYWLQIWXAUPIE-UHFFFAOYSA-N
XLogP2.26
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide 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-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide
CID 142921691
5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid
CID 22709467
5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde
CID 83383281
N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide
CID 10474627
2-[(2-pyrimidin-4-yl-1H-imidazol-5-yl)sulfanyl]-N-sulfanylacetamide
CID 142921722
2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 159721242
2-ethyl-5-pyridin-4-yl-1,3-thiazole
CID 89469223
methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid
CID 69177329
2-[[5-(pyridin-4-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 29064372
2-chloro-5-[[2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 3163624
1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 166963075
2-benzyl-5-pyridin-4-yl-1,3-thiazole
CID 14207536

Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide?
The IUPAC name of 2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide (CID 142921743) is 2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide.
What is the SMILES notation for 2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide?
The canonical SMILES for 2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide is O=C(CSc1ncc(-c2ccncc2)s1)NS.
What is the InChIKey of 2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide?
The InChIKey is CMYWLQIWXAUPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS3/c14-9(13-15)6-16-10-12-5-8(17-10)7-1-3-11-4-2-7/h1-5,15H,6H2,(H,13,14).
What are the key properties of 2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide?
2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide has a molecular weight of 283.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide is sourced from PubChem (CID 142921743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).