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

C7H7N5OS2 — CID 1399146

IUPACN-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1nccs1
InChIInChI=1S/C7H7N5OS2/c13-5(11-6-8-1-2-14-6)3-15-7-9-4-10-12-7/h1-2,4H,3H2,(H,8,11,13)(H,9,10,12)
InChIKeyCOYLJWMIPKCUCN-UHFFFAOYSA-N
MW241.30 g/mol
LogP0.99
Rot. Bonds4

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

N-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 1399146) has the molecular formula C7H7N5OS2 and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID1399146
Molecular FormulaC7H7N5OS2
Molecular Weight241.30 g/mol
Exact Mass241.01
IUPAC NameN-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1nccs1
InChIInChI=1S/C7H7N5OS2/c13-5(11-6-8-1-2-14-6)3-15-7-9-4-10-12-7/h1-2,4H,3H2,(H,8,11,13)(H,9,10,12)
InChIKeyCOYLJWMIPKCUCN-UHFFFAOYSA-N
XLogP0.99
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 1399146) is N-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is COYLJWMIPKCUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5OS2/c13-5(11-6-8-1-2-14-6)3-15-7-9-4-10-12-7/h1-2,4H,3H2,(H,8,11,13)(H,9,10,12).
What are the key properties of N-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 241.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 1399146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).