2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide

C12H17N5O2S — CID 91842009

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc(CC(=O)NCCc2n[nH]c(=O)n2C)c(C)s1
InChIInChI=1S/C12H17N5O2S/c1-7-9(14-8(2)20-7)6-11(18)13-5-4-10-15-16-12(19)17(10)3/h4-6H2,1-3H3,(H,13,18)(H,16,19)
InChIKeyQKPGWYAEZPEVPA-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.08
Rot. Bonds5

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 91842009) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID91842009
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc(CC(=O)NCCc2n[nH]c(=O)n2C)c(C)s1
InChIInChI=1S/C12H17N5O2S/c1-7-9(14-8(2)20-7)6-11(18)13-5-4-10-15-16-12(19)17(10)3/h4-6H2,1-3H3,(H,13,18)(H,16,19)
InChIKeyQKPGWYAEZPEVPA-UHFFFAOYSA-N
XLogP0.08
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
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N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
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3-[2-[(5-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 137338755
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 56801601
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CID 91768357
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide (CID 91842009) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide is Cc1nc(CC(=O)NCCc2n[nH]c(=O)n2C)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is QKPGWYAEZPEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-7-9(14-8(2)20-7)6-11(18)13-5-4-10-15-16-12(19)17(10)3/h4-6H2,1-3H3,(H,13,18)(H,16,19).
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 295.37 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 91842009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).