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

C9H12N4OS3 — CID 2967617

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSC2=NCCS2)s1
InChIInChI=1S/C9H12N4OS3/c1-2-7-12-13-8(17-7)11-6(14)5-16-9-10-3-4-15-9/h2-5H2,1H3,(H,11,13,14)
InChIKeySMOLAZHOZDQGLN-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.88
Rot. Bonds4

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

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2967617) has the molecular formula C9H12N4OS3 and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2967617
Molecular FormulaC9H12N4OS3
Molecular Weight288.42 g/mol
Exact Mass288.02
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSC2=NCCS2)s1
InChIInChI=1S/C9H12N4OS3/c1-2-7-12-13-8(17-7)11-6(14)5-16-9-10-3-4-15-9/h2-5H2,1H3,(H,11,13,14)
InChIKeySMOLAZHOZDQGLN-UHFFFAOYSA-N
XLogP1.88
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2967617) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSC2=NCCS2)s1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SMOLAZHOZDQGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS3/c1-2-7-12-13-8(17-7)11-6(14)5-16-9-10-3-4-15-9/h2-5H2,1H3,(H,11,13,14).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 288.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2967617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).