2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid

C15H20N4O3S — CID 120698479

IUPAC2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCCCc1sc(C(=O)NCc2cn(CC(=O)O)nn2)cc1CC
InChIInChI=1S/C15H20N4O3S/c1-3-5-12-10(4-2)6-13(23-12)15(22)16-7-11-8-19(18-17-11)9-14(20)21/h6,8H,3-5,7,9H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyIEIUEKHXEAFVEP-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.87
Rot. Bonds8

About 2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 120698479) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID120698479
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESCCCc1sc(C(=O)NCc2cn(CC(=O)O)nn2)cc1CC
InChIInChI=1S/C15H20N4O3S/c1-3-5-12-10(4-2)6-13(23-12)15(22)16-7-11-8-19(18-17-11)9-14(20)21/h6,8H,3-5,7,9H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyIEIUEKHXEAFVEP-UHFFFAOYSA-N
XLogP1.87
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
2-[4-[[(5-bromothiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457657
2-[4-[[(3-bromo-5-methylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 104850882
2-[4-[[(2-tert-butylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698533
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid
CID 115458155
2-[4-[[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457393
2-[4-[[(3,4-dichlorobenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457375
2-[4-[[(1-methylpyrrole-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 113313829
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698597
2-[4-[[(3,5-dimethyl-1-propylpyrazole-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698967

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 120698479) is 2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid is CCCc1sc(C(=O)NCc2cn(CC(=O)O)nn2)cc1CC.
What is the InChIKey of 2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is IEIUEKHXEAFVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-3-5-12-10(4-2)6-13(23-12)15(22)16-7-11-8-19(18-17-11)9-14(20)21/h6,8H,3-5,7,9H2,1-2H3,(H,16,22)(H,20,21).
What are the key properties of 2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 336.42 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120698479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).