N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide

C13H18N4OS2 — CID 45211869

IUPACN-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide
SMILESCCSc1nnc(C(C)NC(=O)Cc2ccsc2)n1C
InChIInChI=1S/C13H18N4OS2/c1-4-20-13-16-15-12(17(13)3)9(2)14-11(18)7-10-5-6-19-8-10/h5-6,8-9H,4,7H2,1-3H3,(H,14,18)
InChIKeyKJYTWTJDBHPTGZ-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.41
Rot. Bonds6

About N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide

N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide (PubChem CID 45211869) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide
PubChem CID45211869
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC NameN-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide
SMILESCCSc1nnc(C(C)NC(=O)Cc2ccsc2)n1C
InChIInChI=1S/C13H18N4OS2/c1-4-20-13-16-15-12(17(13)3)9(2)14-11(18)7-10-5-6-19-8-10/h5-6,8-9H,4,7H2,1-3H3,(H,14,18)
InChIKeyKJYTWTJDBHPTGZ-UHFFFAOYSA-N
XLogP2.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylbenzamide
CID 42433946
N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methoxybenzamide
CID 45167412
N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 45200826
(E)-N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 26278243
N-[1-[5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 2966450
N-[1-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 2969447
N-[(1S)-1-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 2304437
1-(4-chlorophenyl)-N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 42163862
N-[(1S)-1-[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 124550425
N-[1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 4016561
N-[1-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 3345077
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide
CID 62652889

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide (CID 45211869) is N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide is CCSc1nnc(C(C)NC(=O)Cc2ccsc2)n1C.
What is the InChIKey of N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide?
The InChIKey is KJYTWTJDBHPTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-4-20-13-16-15-12(17(13)3)9(2)14-11(18)7-10-5-6-19-8-10/h5-6,8-9H,4,7H2,1-3H3,(H,14,18).
What are the key properties of N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide?
N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide has a molecular weight of 310.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 45211869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).