3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide

C12H19N3O2S — CID 103510135

IUPAC3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
SMILESC=CCNc1sc(C(=O)NCCC)c(N)c1OC
InChIInChI=1S/C12H19N3O2S/c1-4-6-14-11(16)10-8(13)9(17-3)12(18-10)15-7-5-2/h5,15H,2,4,6-7,13H2,1,3H3,(H,14,16)
InChIKeyFZYSKZXEJCWWJI-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.08
Rot. Bonds7

About 3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide

3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide (PubChem CID 103510135) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
PubChem CID103510135
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
SMILESC=CCNc1sc(C(=O)NCCC)c(N)c1OC
InChIInChI=1S/C12H19N3O2S/c1-4-6-14-11(16)10-8(13)9(17-3)12(18-10)15-7-5-2/h5,15H,2,4,6-7,13H2,1,3H3,(H,14,16)
InChIKeyFZYSKZXEJCWWJI-UHFFFAOYSA-N
XLogP2.08
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426999
3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
CID 103432325
3-amino-4-methoxy-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425603
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588
3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103505711
3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510047
3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide
CID 103426950
3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103424004
3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103423046
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
3-amino-4-methoxy-5-[methyl(propyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421284
3-amino-N-ethyl-4-methoxy-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432214

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide (CID 103510135) is 3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide is C=CCNc1sc(C(=O)NCCC)c(N)c1OC.
What is the InChIKey of 3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide?
The InChIKey is FZYSKZXEJCWWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-6-14-11(16)10-8(13)9(17-3)12(18-10)15-7-5-2/h5,15H,2,4,6-7,13H2,1,3H3,(H,14,16).
What are the key properties of 3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide?
3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103510135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).