3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide

C11H13N5O2S — CID 106412968

IUPAC3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NCc2ncon2)c(C2CC2)c1N
InChIInChI=1S/C11H13N5O2S/c12-8-7(5-1-2-5)11(19-9(8)10(13)17)14-3-6-15-4-18-16-6/h4-5,14H,1-3,12H2,(H2,13,17)
InChIKeyRKMHDXKQNXZZSV-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.30
Rot. Bonds5

About 3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide

3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide (PubChem CID 106412968) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide
PubChem CID106412968
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NCc2ncon2)c(C2CC2)c1N
InChIInChI=1S/C11H13N5O2S/c12-8-7(5-1-2-5)11(19-9(8)10(13)17)14-3-6-15-4-18-16-6/h4-5,14H,1-3,12H2,(H2,13,17)
InChIKeyRKMHDXKQNXZZSV-UHFFFAOYSA-N
XLogP1.30
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-amino-4-cyclopropyl-5-[2-(1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxylate
CID 106413091
dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate
CID 106412893
4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile
CID 106412944
3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296564
3-amino-4-cyclopropyl-5-[2-(diethylamino)ethylamino]thiophene-2-carboxamide
CID 103424766
4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide
CID 106412904
2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide
CID 106407353
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526031
3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426267
methyl 3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 103507781
4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412715
1-[3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophen-2-yl]ethanone
CID 106412894

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide (CID 106412968) is 3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide is NC(=O)c1sc(NCc2ncon2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide?
The InChIKey is RKMHDXKQNXZZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-8-7(5-1-2-5)11(19-9(8)10(13)17)14-3-6-15-4-18-16-6/h4-5,14H,1-3,12H2,(H2,13,17).
What are the key properties of 3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 106412968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).