3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide

C12H21N3O3S — CID 103427050

IUPAC3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide
SMILESCOCCCNc1sc(C(N)=O)c(N)c1OC(C)C
InChIInChI=1S/C12H21N3O3S/c1-7(2)18-9-8(13)10(11(14)16)19-12(9)15-5-4-6-17-3/h7,15H,4-6,13H2,1-3H3,(H2,14,16)
InChIKeyORZOYIJFCDVPTL-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.66
Rot. Bonds8

About 3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide

3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103427050) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103427050
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide
SMILESCOCCCNc1sc(C(N)=O)c(N)c1OC(C)C
InChIInChI=1S/C12H21N3O3S/c1-7(2)18-9-8(13)10(11(14)16)19-12(9)15-5-4-6-17-3/h7,15H,4-6,13H2,1-3H3,(H2,14,16)
InChIKeyORZOYIJFCDVPTL-UHFFFAOYSA-N
XLogP1.66
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-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

3-amino-5-(hexylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103420117
methyl 3-amino-5-(butylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425198
[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103423405
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425581
3-amino-4-methoxy-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426999
3-amino-4-propan-2-yloxy-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
CID 103434587
1-[3-amino-5-(3-methoxypropylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103427005
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
methyl 3-amino-4-methoxy-5-(2-methoxyethylamino)thiophene-2-carboxylate
CID 103423455
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425026

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide (CID 103427050) is 3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide is COCCCNc1sc(C(N)=O)c(N)c1OC(C)C.
What is the InChIKey of 3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is ORZOYIJFCDVPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-7(2)18-9-8(13)10(11(14)16)19-12(9)15-5-4-6-17-3/h7,15H,4-6,13H2,1-3H3,(H2,14,16).
What are the key properties of 3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methoxypropylamino)-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103427050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).