2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide

C8H9N3OS3 — CID 877209

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1nccs1
InChIInChI=1S/C8H9N3OS3/c12-6(11-7-9-1-3-13-7)5-15-8-10-2-4-14-8/h1,3H,2,4-5H2,(H,9,11,12)
InChIKeyJMGHMXPQOFOVET-UHFFFAOYSA-N
MW259.38 g/mol
LogP1.92
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 877209) has the molecular formula C8H9N3OS3 and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID877209
Molecular FormulaC8H9N3OS3
Molecular Weight259.38 g/mol
Exact Mass258.99
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1nccs1
InChIInChI=1S/C8H9N3OS3/c12-6(11-7-9-1-3-13-7)5-15-8-10-2-4-14-8/h1,3H,2,4-5H2,(H,9,11,12)
InChIKeyJMGHMXPQOFOVET-UHFFFAOYSA-N
XLogP1.92
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Acetamidothiazole
CID 17625
2-chloro-N-(1,3-thiazol-2-yl)acetamide
CID 226883
2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide
CID 1415429
3-Oxo-N-2-thiazolylbutanamide
CID 12811
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 1887129
2-cyano-N-(1,3-thiazol-2-yl)acetamide
CID 693166
2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 2834959
Ethyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate
CID 5329660
2-Amino-5-thio-substituted thiazole 57
CID 5329696
2-Amino-5-thio-substituted thiazole 68
CID 5329704
2-Amino-5-thio-substituted thiazole 70
CID 5329706
3-Ethyl-1-(1,3-thiazol-2-yl)urea
CID 2382314

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide (CID 877209) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CSC1=NCCS1)Nc1nccs1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JMGHMXPQOFOVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS3/c12-6(11-7-9-1-3-13-7)5-15-8-10-2-4-14-8/h1,3H,2,4-5H2,(H,9,11,12).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 259.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 877209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).