3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide

C14H26N4O2S — CID 103424329

IUPAC3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCC(C)Oc1c(NCCN(C)C)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C14H26N4O2S/c1-9(2)20-11-10(15)12(14(19)18(5)6)21-13(11)16-7-8-17(3)4/h9,16H,7-8,15H2,1-6H3
InChIKeyZMVLWCXAHJOGGK-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.79
Rot. Bonds7

About 3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide

3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103424329) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103424329
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCC(C)Oc1c(NCCN(C)C)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C14H26N4O2S/c1-9(2)20-11-10(15)12(14(19)18(5)6)21-13(11)16-7-8-17(3)4/h9,16H,7-8,15H2,1-6H3
InChIKeyZMVLWCXAHJOGGK-UHFFFAOYSA-N
XLogP1.79
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide (CID 103424329) is 3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide is CC(C)Oc1c(NCCN(C)C)sc(C(=O)N(C)C)c1N.
What is the InChIKey of 3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is ZMVLWCXAHJOGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-9(2)20-11-10(15)12(14(19)18(5)6)21-13(11)16-7-8-17(3)4/h9,16H,7-8,15H2,1-6H3.
What are the key properties of 3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 314.46 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103424329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).