2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide

C10H12ClN5OS — CID 106033257

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
SMILESNc1ncn(CC(=O)NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C10H12ClN5OS/c11-8-2-1-7(18-8)3-4-13-9(17)5-16-6-14-10(12)15-16/h1-2,6H,3-5H2,(H2,12,15)(H,13,17)
InChIKeyINMQANQVZDOLMN-UHFFFAOYSA-N
MW285.76 g/mol
LogP0.93
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide (PubChem CID 106033257) has the molecular formula C10H12ClN5OS and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
PubChem CID106033257
Molecular FormulaC10H12ClN5OS
Molecular Weight285.76 g/mol
Exact Mass285.05
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
SMILESNc1ncn(CC(=O)NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C10H12ClN5OS/c11-8-2-1-7(18-8)3-4-13-9(17)5-16-6-14-10(12)15-16/h1-2,6H,3-5H2,(H2,12,15)(H,13,17)
InChIKeyINMQANQVZDOLMN-UHFFFAOYSA-N
XLogP0.93
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 114138951
1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 106041563
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
1-[(5-chlorothiophen-2-yl)methyl]-1,2,4-triazol-3-amine
CID 60911732
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
CID 61016737
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 106033376
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 106047885
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83107218
(3E)-3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyiminopropanamide
CID 106041277

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide (CID 106033257) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide is Nc1ncn(CC(=O)NCCc2ccc(Cl)s2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide?
The InChIKey is INMQANQVZDOLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5OS/c11-8-2-1-7(18-8)3-4-13-9(17)5-16-6-14-10(12)15-16/h1-2,6H,3-5H2,(H2,12,15)(H,13,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide has a molecular weight of 285.76 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 106033257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).