3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide

C13H19N3O2S — CID 103424588

IUPAC3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCC2CC2)c(OC)c1N
InChIInChI=1S/C13H19N3O2S/c1-3-6-15-12(17)11-9(14)10(18-2)13(19-11)16-7-8-4-5-8/h3,8,16H,1,4-7,14H2,2H3,(H,15,17)
InChIKeyNELYFRMAMMPEPE-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.08
Rot. Bonds7

About 3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103424588) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103424588
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCC2CC2)c(OC)c1N
InChIInChI=1S/C13H19N3O2S/c1-3-6-15-12(17)11-9(14)10(18-2)13(19-11)16-7-8-4-5-8/h3,8,16H,1,4-7,14H2,2H3,(H,15,17)
InChIKeyNELYFRMAMMPEPE-UHFFFAOYSA-N
XLogP2.08
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
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-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424670
methyl 4-amino-2-(cyclopropylmethylamino)-5-(prop-2-enylcarbamoyl)thiophene-3-carboxylate
CID 103424651
3-amino-4-methoxy-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426999
3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103505711
3-amino-4-methoxy-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425603
3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510135
ethyl 3-amino-5-(cyclopropylmethylamino)-4-methoxythiophene-2-carboxylate
CID 103424571
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103423732
3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103419320
3-amino-4-methoxy-5-[methyl(propyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421284
3-amino-4-methoxy-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417708
1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 107416246

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide (CID 103424588) is 3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(NCC2CC2)c(OC)c1N.
What is the InChIKey of 3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is NELYFRMAMMPEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-6-15-12(17)11-9(14)10(18-2)13(19-11)16-7-8-4-5-8/h3,8,16H,1,4-7,14H2,2H3,(H,15,17).
What are the key properties of 3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 281.38 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-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103424588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).