N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide

C11H10N6OS2 — CID 24793460

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
SMILESCc1cnc(NC(=O)CSc2nnc3ncccn23)s1
InChIInChI=1S/C11H10N6OS2/c1-7-5-13-10(20-7)14-8(18)6-19-11-16-15-9-12-3-2-4-17(9)11/h2-5H,6H2,1H3,(H,13,14,18)
InChIKeyCMZNBSGMOSOKML-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.62
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide (PubChem CID 24793460) has the molecular formula C11H10N6OS2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
PubChem CID24793460
Molecular FormulaC11H10N6OS2
Molecular Weight306.38 g/mol
Exact Mass306.04
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
SMILESCc1cnc(NC(=O)CSc2nnc3ncccn23)s1
InChIInChI=1S/C11H10N6OS2/c1-7-5-13-10(20-7)14-8(18)6-19-11-16-15-9-12-3-2-4-17(9)11/h2-5H,6H2,1H3,(H,13,14,18)
InChIKeyCMZNBSGMOSOKML-UHFFFAOYSA-N
XLogP1.62
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide (CID 24793460) is N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide is Cc1cnc(NC(=O)CSc2nnc3ncccn23)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
The InChIKey is CMZNBSGMOSOKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS2/c1-7-5-13-10(20-7)14-8(18)6-19-11-16-15-9-12-3-2-4-17(9)11/h2-5H,6H2,1H3,(H,13,14,18).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide has a molecular weight of 306.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 24793460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).