2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide

C11H17N5OS — CID 43212982

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1n[nH]c(N)n1)C1=CCCC1
InChIInChI=1S/C11H17N5OS/c1-2-16(8-5-3-4-6-8)9(17)7-18-11-13-10(12)14-15-11/h5H,2-4,6-7H2,1H3,(H3,12,13,14,15)
InChIKeyAPSOEJQZHXJDMP-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.40
Rot. Bonds5

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide (PubChem CID 43212982) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide
PubChem CID43212982
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1n[nH]c(N)n1)C1=CCCC1
InChIInChI=1S/C11H17N5OS/c1-2-16(8-5-3-4-6-8)9(17)7-18-11-13-10(12)14-15-11/h5H,2-4,6-7H2,1H3,(H3,12,13,14,15)
InChIKeyAPSOEJQZHXJDMP-UHFFFAOYSA-N
XLogP1.40
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-(cyclopenten-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 47149278
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8516780
N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8516816
N-(cyclopenten-1-yl)-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18158171
N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18158246
2-[[4-amino-5-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
CID 24459148
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 32018116
N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 39952510
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 43212980
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
CID 43243226
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
CID 54955456
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 60732989

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide (CID 43212982) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide is CCN(C(=O)CSc1n[nH]c(N)n1)C1=CCCC1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
The InChIKey is APSOEJQZHXJDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-2-16(8-5-3-4-6-8)9(17)7-18-11-13-10(12)14-15-11/h5H,2-4,6-7H2,1H3,(H3,12,13,14,15).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide has a molecular weight of 267.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-ethylacetamide is sourced from PubChem (CID 43212982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).