N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide

C10H11BrN4OS — CID 47389277

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(Cc1csc(Br)c1)C(=O)Cn1cncn1
InChIInChI=1S/C10H11BrN4OS/c1-14(3-8-2-9(11)17-5-8)10(16)4-15-7-12-6-13-15/h2,5-7H,3-4H2,1H3
InChIKeyFWPJTQOGQFDFGS-UHFFFAOYSA-N
MW315.20 g/mol
LogP1.76
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 47389277) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID47389277
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(Cc1csc(Br)c1)C(=O)Cn1cncn1
InChIInChI=1S/C10H11BrN4OS/c1-14(3-8-2-9(11)17-5-8)10(16)4-15-7-12-6-13-15/h2,5-7H,3-4H2,1H3
InChIKeyFWPJTQOGQFDFGS-UHFFFAOYSA-N
XLogP1.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide (CID 47389277) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide is CN(Cc1csc(Br)c1)C(=O)Cn1cncn1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is FWPJTQOGQFDFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-14(3-8-2-9(11)17-5-8)10(16)4-15-7-12-6-13-15/h2,5-7H,3-4H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 315.20 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 47389277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).