3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide

C12H19N3O2S — CID 103426968

IUPAC3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCCCOC)cc1N
InChIInChI=1S/C12H19N3O2S/c1-3-5-15-12(16)11-9(13)8-10(18-11)14-6-4-7-17-2/h3,8,14H,1,4-7,13H2,2H3,(H,15,16)
InChIKeyFPKWGUFCFHNUBI-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.69
Rot. Bonds8

About 3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103426968) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103426968
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCCCOC)cc1N
InChIInChI=1S/C12H19N3O2S/c1-3-5-15-12(16)11-9(13)8-10(18-11)14-6-4-7-17-2/h3,8,14H,1,4-7,13H2,2H3,(H,15,16)
InChIKeyFPKWGUFCFHNUBI-UHFFFAOYSA-N
XLogP1.69
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(diethylamino)ethylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103424763
3-amino-4-methoxy-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426999
3-amino-5-(pentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103424021
3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103526692
3-amino-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103506866
3-amino-5-[(3-bromophenyl)methylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103507889
1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423434
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
methyl 3-amino-5-(hexylamino)thiophene-2-carboxylate
CID 103420123
methyl 3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2-carboxylate
CID 106045002

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide (CID 103426968) is 3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(NCCCOC)cc1N.
What is the InChIKey of 3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is FPKWGUFCFHNUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-5-15-12(16)11-9(13)8-10(18-11)14-6-4-7-17-2/h3,8,14H,1,4-7,13H2,2H3,(H,15,16).
What are the key properties of 3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103426968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).