4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide

C12H15N5O3S — CID 106412904

IUPAC4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide
SMILESCCC(=O)c1sc(NCc2ncon2)c(C(=O)NC)c1N
InChIInChI=1S/C12H15N5O3S/c1-3-6(18)10-9(13)8(11(19)14-2)12(21-10)15-4-7-16-5-20-17-7/h5,15H,3-4,13H2,1-2H3,(H,14,19)
InChIKeyGATZRAXZBYEAEV-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.28
Rot. Bonds6

About 4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide

4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide (PubChem CID 106412904) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide
PubChem CID106412904
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide
SMILESCCC(=O)c1sc(NCc2ncon2)c(C(=O)NC)c1N
InChIInChI=1S/C12H15N5O3S/c1-3-6(18)10-9(13)8(11(19)14-2)12(21-10)15-4-7-16-5-20-17-7/h5,15H,3-4,13H2,1-2H3,(H,14,19)
InChIKeyGATZRAXZBYEAEV-UHFFFAOYSA-N
XLogP1.28
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate
CID 106412893
4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide
CID 103510041
4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
CID 103432192
4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
CID 103425607
3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide
CID 106412968
4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile
CID 106412944
3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide
CID 103427267
1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone
CID 106412894
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106397147
3-amino-4-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2,4-dicarboxamide
CID 103507826
1-[3-amino-4-methoxy-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]thiophen-2-yl]propan-1-one
CID 106412810

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide (CID 106412904) is 4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide is CCC(=O)c1sc(NCc2ncon2)c(C(=O)NC)c1N.
What is the InChIKey of 4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide?
The InChIKey is GATZRAXZBYEAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-3-6(18)10-9(13)8(11(19)14-2)12(21-10)15-4-7-16-5-20-17-7/h5,15H,3-4,13H2,1-2H3,(H,14,19).
What are the key properties of 4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide?
4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide is sourced from PubChem (CID 106412904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).