2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide

C15H16ClN5O2S2 — CID 8581512

IUPAC2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccco2)n1N
InChIInChI=1S/C15H16ClN5O2S2/c1-2-20(8-10-5-6-12(16)25-10)13(22)9-24-15-19-18-14(21(15)17)11-4-3-7-23-11/h3-7H,2,8-9,17H2,1H3
InChIKeyOYHNXOARETVBQB-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.11
Rot. Bonds7

About 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide

2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide (PubChem CID 8581512) has the molecular formula C15H16ClN5O2S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
PubChem CID8581512
Molecular FormulaC15H16ClN5O2S2
Molecular Weight397.91 g/mol
Exact Mass397.04
IUPAC Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccco2)n1N
InChIInChI=1S/C15H16ClN5O2S2/c1-2-20(8-10-5-6-12(16)25-10)13(22)9-24-15-19-18-14(21(15)17)11-4-3-7-23-11/h3-7H,2,8-9,17H2,1H3
InChIKeyOYHNXOARETVBQB-UHFFFAOYSA-N
XLogP3.11
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8577236
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9073543
ethyl N-[2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate
CID 4852588
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7273369
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9290072
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 7638048
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 43028515
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 9006299
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]acetamide
CID 7637920
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 4791616
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7273135
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 134046005

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The IUPAC name of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide (CID 8581512) is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide is CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccco2)n1N.
What is the InChIKey of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The InChIKey is OYHNXOARETVBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2S2/c1-2-20(8-10-5-6-12(16)25-10)13(22)9-24-15-19-18-14(21(15)17)11-4-3-7-23-11/h3-7H,2,8-9,17H2,1H3.
What are the key properties of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide has a molecular weight of 397.91 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide is sourced from PubChem (CID 8581512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).