3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide

C13H19N5O2S — CID 106424952

IUPAC3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCCc2noc(C)n2)cc1N
InChIInChI=1S/C13H19N5O2S/c1-3-5-16-13(19)12-9(14)7-11(21-12)15-6-4-10-17-8(2)20-18-10/h7,15H,3-6,14H2,1-2H3,(H,16,19)
InChIKeyZKIVACQRQQXYIA-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.82
Rot. Bonds7

About 3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide

3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide (PubChem CID 106424952) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide
PubChem CID106424952
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCCc2noc(C)n2)cc1N
InChIInChI=1S/C13H19N5O2S/c1-3-5-16-13(19)12-9(14)7-11(21-12)15-6-4-10-17-8(2)20-18-10/h7,15H,3-6,14H2,1-2H3,(H,16,19)
InChIKeyZKIVACQRQQXYIA-UHFFFAOYSA-N
XLogP1.82
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
CID 103425930
3-amino-N-propyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505955
3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
CID 106413075
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106422861
3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide
CID 103526426
3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413272
4-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413248
2-amino-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106422845
3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide
CID 107819531
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103526738

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide (CID 106424952) is 3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NCCc2noc(C)n2)cc1N.
What is the InChIKey of 3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide?
The InChIKey is ZKIVACQRQQXYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-5-16-13(19)12-9(14)7-11(21-12)15-6-4-10-17-8(2)20-18-10/h7,15H,3-6,14H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide?
3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide has a molecular weight of 309.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 106424952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).