4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide

C10H15N3O2S — CID 103424451

IUPAC4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
SMILESCCNc1sc(C(=O)CC)c(N)c1C(N)=O
InChIInChI=1S/C10H15N3O2S/c1-3-5(14)8-7(11)6(9(12)15)10(16-8)13-4-2/h13H,3-4,11H2,1-2H3,(H2,12,15)
InChIKeyKRHZTDPZQYVXKE-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.45
Rot. Bonds5

About 4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide

4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide (PubChem CID 103424451) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
PubChem CID103424451
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
SMILESCCNc1sc(C(=O)CC)c(N)c1C(N)=O
InChIInChI=1S/C10H15N3O2S/c1-3-5(14)8-7(11)6(9(12)15)10(16-8)13-4-2/h13H,3-4,11H2,1-2H3,(H2,12,15)
InChIKeyKRHZTDPZQYVXKE-UHFFFAOYSA-N
XLogP1.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide (CID 103424451) is 4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide is CCNc1sc(C(=O)CC)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide?
The InChIKey is KRHZTDPZQYVXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-5(14)8-7(11)6(9(12)15)10(16-8)13-4-2/h13H,3-4,11H2,1-2H3,(H2,12,15).
What are the key properties of 4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide?
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide is sourced from PubChem (CID 103424451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).