2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide

C10H15N3O2S2 — CID 84560852

IUPAC2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(N)=O)c(NC(=O)CSCCN)s1
InChIInChI=1S/C10H15N3O2S2/c1-6-4-7(9(12)15)10(17-6)13-8(14)5-16-3-2-11/h4H,2-3,5,11H2,1H3,(H2,12,15)(H,13,14)
InChIKeyNKFRTZJCQDAQOX-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.79
Rot. Bonds6

About 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide

2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide (PubChem CID 84560852) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide
PubChem CID84560852
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(N)=O)c(NC(=O)CSCCN)s1
InChIInChI=1S/C10H15N3O2S2/c1-6-4-7(9(12)15)10(17-6)13-8(14)5-16-3-2-11/h4H,2-3,5,11H2,1H3,(H2,12,15)(H,13,14)
InChIKeyNKFRTZJCQDAQOX-UHFFFAOYSA-N
XLogP0.79
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569937
2-[[2-(cyanomethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 55249535
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 39162635
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 43249692
5-methyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylic acid
CID 63615175
2-(2-aminoethylsulfanyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 84561305
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341
2-[[6-[(3-carboxy-5-methylthiophen-2-yl)amino]-6-oxohexanoyl]amino]-5-methylthiophene-3-carboxylic acid
CID 24859424
2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
CID 43249676
5-methyl-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid
CID 63172490
methyl 2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 84560589

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide (CID 84560852) is 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide is Cc1cc(C(N)=O)c(NC(=O)CSCCN)s1.
What is the InChIKey of 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide?
The InChIKey is NKFRTZJCQDAQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-6-4-7(9(12)15)10(17-6)13-8(14)5-16-3-2-11/h4H,2-3,5,11H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide?
2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 84560852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).