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

C10H11ClN4OS — CID 78792569

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cn1cncn1
InChIInChI=1S/C10H11ClN4OS/c1-14(4-8-2-3-9(11)17-8)10(16)5-15-7-12-6-13-15/h2-3,6-7H,4-5H2,1H3
InChIKeyGZXIPUGCIUIVJB-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.65
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 78792569) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID78792569
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cn1cncn1
InChIInChI=1S/C10H11ClN4OS/c1-14(4-8-2-3-9(11)17-8)10(16)5-15-7-12-6-13-15/h2-3,6-7H,4-5H2,1H3
InChIKeyGZXIPUGCIUIVJB-UHFFFAOYSA-N
XLogP1.65
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702
N-[(4-bromophenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 60628391
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 51132746
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18158284
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
CID 62918194
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 47389277
2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 103577273
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 39719183
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide (CID 78792569) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide is CN(Cc1ccc(Cl)s1)C(=O)Cn1cncn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is GZXIPUGCIUIVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-14(4-8-2-3-9(11)17-8)10(16)5-15-7-12-6-13-15/h2-3,6-7H,4-5H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 270.75 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 78792569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).