N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C9H11N5O3S — CID 83102522

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)Cn2c(C)csc2=O)n1
InChIInChI=1S/C9H11N5O3S/c1-5-4-18-9(16)14(5)3-6(15)10-7-11-8(17-2)13-12-7/h4H,3H2,1-2H3,(H2,10,11,12,13,15)
InChIKeyYFPURHIQNPQITG-UHFFFAOYSA-N
MW269.29 g/mol
LogP-0.02
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 83102522) has the molecular formula C9H11N5O3S and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID83102522
Molecular FormulaC9H11N5O3S
Molecular Weight269.29 g/mol
Exact Mass269.06
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)Cn2c(C)csc2=O)n1
InChIInChI=1S/C9H11N5O3S/c1-5-4-18-9(16)14(5)3-6(15)10-7-11-8(17-2)13-12-7/h4H,3H2,1-2H3,(H2,10,11,12,13,15)
InChIKeyYFPURHIQNPQITG-UHFFFAOYSA-N
XLogP-0.02
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 83102522) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is COc1n[nH]c(NC(=O)Cn2c(C)csc2=O)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is YFPURHIQNPQITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S/c1-5-4-18-9(16)14(5)3-6(15)10-7-11-8(17-2)13-12-7/h4H,3H2,1-2H3,(H2,10,11,12,13,15).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 269.29 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 83102522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).