3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide

C14H23N3O2S — CID 103506429

IUPAC3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCOC(C)C)c(C2CC2)c1N
InChIInChI=1S/C14H23N3O2S/c1-8(2)19-7-6-17-14-10(9-4-5-9)11(15)12(20-14)13(18)16-3/h8-9,17H,4-7,15H2,1-3H3,(H,16,18)
InChIKeyMXPQCDPERAAZJW-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.40
Rot. Bonds7

About 3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide

3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide (PubChem CID 103506429) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
PubChem CID103506429
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCOC(C)C)c(C2CC2)c1N
InChIInChI=1S/C14H23N3O2S/c1-8(2)19-7-6-17-14-10(9-4-5-9)11(15)12(20-14)13(18)16-3/h8-9,17H,4-7,15H2,1-3H3,(H,16,18)
InChIKeyMXPQCDPERAAZJW-UHFFFAOYSA-N
XLogP2.40
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-cyclopropyl-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505983
1-[3-amino-4-cyclopropyl-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423349
3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide
CID 103428671
3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423879
3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
CID 107416244
3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide
CID 103423180
1-[3-amino-4-cyclopropyl-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425616
3-amino-N,4-dicyclopropyl-5-(cyclopropylmethylamino)thiophene-2-carboxamide
CID 103424679
3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide
CID 103506465
methyl 3-amino-4-cyclopropyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420077
methyl 3-amino-4-cyclopropyl-5-[3-(dimethylamino)propylamino]thiophene-2-carboxylate
CID 103426194
ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate
CID 103425371

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide (CID 103506429) is 3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide is CNC(=O)c1sc(NCCOC(C)C)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide?
The InChIKey is MXPQCDPERAAZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-8(2)19-7-6-17-14-10(9-4-5-9)11(15)12(20-14)13(18)16-3/h8-9,17H,4-7,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide?
3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103506429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).