2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C7H8N6OS2 — CID 581273

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1nccs1
InChIInChI=1S/C7H8N6OS2/c1-13-7(10-11-12-13)16-4-5(14)9-6-8-2-3-15-6/h2-3H,4H2,1H3,(H,8,9,14)
InChIKeyRREJJHQDETWTJG-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.40
Rot. Bonds4

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 581273) has the molecular formula C7H8N6OS2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID581273
Molecular FormulaC7H8N6OS2
Molecular Weight256.32 g/mol
Exact Mass256.02
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1nccs1
InChIInChI=1S/C7H8N6OS2/c1-13-7(10-11-12-13)16-4-5(14)9-6-8-2-3-15-6/h2-3H,4H2,1H3,(H,8,9,14)
InChIKeyRREJJHQDETWTJG-UHFFFAOYSA-N
XLogP0.40
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 581273) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cn1nnnc1SCC(=O)Nc1nccs1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RREJJHQDETWTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS2/c1-13-7(10-11-12-13)16-4-5(14)9-6-8-2-3-15-6/h2-3H,4H2,1H3,(H,8,9,14).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 256.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 581273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).