2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C13H13N7OS2 — CID 131928986

IUPAC2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(SCC(=O)NCc2csc(-c3cnccn3)n2)n[nH]1
InChIInChI=1S/C13H13N7OS2/c1-8-17-13(20-19-8)23-7-11(21)16-4-9-6-22-12(18-9)10-5-14-2-3-15-10/h2-3,5-6H,4,7H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyDCCNARWEECUNAU-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.44
Rot. Bonds6

About 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide

2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 131928986) has the molecular formula C13H13N7OS2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID131928986
Molecular FormulaC13H13N7OS2
Molecular Weight347.43 g/mol
Exact Mass347.06
IUPAC Name2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(SCC(=O)NCc2csc(-c3cnccn3)n2)n[nH]1
InChIInChI=1S/C13H13N7OS2/c1-8-17-13(20-19-8)23-7-11(21)16-4-9-6-22-12(18-9)10-5-14-2-3-15-10/h2-3,5-6H,4,7H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyDCCNARWEECUNAU-UHFFFAOYSA-N
XLogP1.44
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131893307
1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 131950032
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 131894963
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 122564351
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 71856442
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138810938
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 91785409
1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
CID 131902698
3-(2,5-dioxoimidazolidin-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 70772607
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97147318
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131943695

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 131928986) is 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide is Cc1nc(SCC(=O)NCc2csc(-c3cnccn3)n2)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is DCCNARWEECUNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7OS2/c1-8-17-13(20-19-8)23-7-11(21)16-4-9-6-22-12(18-9)10-5-14-2-3-15-10/h2-3,5-6H,4,7H2,1H3,(H,16,21)(H,17,19,20).
What are the key properties of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 347.43 g/mol, XLogP of 1.44, 6 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-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 131928986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).