3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide

C12H15N5O2S — CID 103506866

IUPAC3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCc2nc(C)no2)cc1N
InChIInChI=1S/C12H15N5O2S/c1-3-4-14-12(18)11-8(13)5-10(20-11)15-6-9-16-7(2)17-19-9/h3,5,15H,1,4,6,13H2,2H3,(H,14,18)
InChIKeyXDSUZWYSKLQCAT-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.55
Rot. Bonds6

About 3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103506866) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103506866
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCc2nc(C)no2)cc1N
InChIInChI=1S/C12H15N5O2S/c1-3-4-14-12(18)11-8(13)5-10(20-11)15-6-9-16-7(2)17-19-9/h3,5,15H,1,4,6,13H2,2H3,(H,14,18)
InChIKeyXDSUZWYSKLQCAT-UHFFFAOYSA-N
XLogP1.55
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425572
3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426968
3-amino-5-[2-(diethylamino)ethylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103424763
3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103526692
3-amino-5-[(3-bromophenyl)methylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103507889
3-amino-5-(pentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103424021
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55120126
3-amino-5-[bis(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509837
3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide
CID 106424952
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61139818
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617029
2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813986

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide (CID 103506866) is 3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(NCc2nc(C)no2)cc1N.
What is the InChIKey of 3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is XDSUZWYSKLQCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-3-4-14-12(18)11-8(13)5-10(20-11)15-6-9-16-7(2)17-19-9/h3,5,15H,1,4,6,13H2,2H3,(H,14,18).
What are the key properties of 3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103506866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).