2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

C11H10N6O2S2 — CID 162631101

IUPAC2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCc1nc(SCC(=O)Nc2cnc3sccn3c2=O)n[nH]1
InChIInChI=1S/C11H10N6O2S2/c1-6-13-10(16-15-6)21-5-8(18)14-7-4-12-11-17(9(7)19)2-3-20-11/h2-4H,5H2,1H3,(H,14,18)(H,13,15,16)
InChIKeyHUIBIQRVNOMJEH-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.91
Rot. Bonds4

About 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (PubChem CID 162631101) has the molecular formula C11H10N6O2S2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
PubChem CID162631101
Molecular FormulaC11H10N6O2S2
Molecular Weight322.38 g/mol
Exact Mass322.03
IUPAC Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCc1nc(SCC(=O)Nc2cnc3sccn3c2=O)n[nH]1
InChIInChI=1S/C11H10N6O2S2/c1-6-13-10(16-15-6)21-5-8(18)14-7-4-12-11-17(9(7)19)2-3-20-11/h2-4H,5H2,1H3,(H,14,18)(H,13,15,16)
InChIKeyHUIBIQRVNOMJEH-UHFFFAOYSA-N
XLogP0.91
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-methylindol-3-yl)sulfanyl-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
CID 162626281
N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8707821
N-(2,3-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 966905
N-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 967637
N-(4-ethylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18140067
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 122143857
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 50853062
N-(5-chloro-2-cyanophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 21382912
N-(4-cyanophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42091985
N-(4-amino-2,6-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 61346085
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 91785409
N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 71856442

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (CID 162631101) is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is Cc1nc(SCC(=O)Nc2cnc3sccn3c2=O)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The InChIKey is HUIBIQRVNOMJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2S2/c1-6-13-10(16-15-6)21-5-8(18)14-7-4-12-11-17(9(7)19)2-3-20-11/h2-4H,5H2,1H3,(H,14,18)(H,13,15,16).
What are the key properties of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide has a molecular weight of 322.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 162631101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).