3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide

C15H21N3OS — CID 103507326

IUPAC3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
SMILESC=C(C)CNc1sc(C(=O)NC2CC2)c(N)c1C1CC1
InChIInChI=1S/C15H21N3OS/c1-8(2)7-17-15-11(9-3-4-9)12(16)13(20-15)14(19)18-10-5-6-10/h9-10,17H,1,3-7,16H2,2H3,(H,18,19)
InChIKeyGQZSZTDIHMVMMG-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.09
Rot. Bonds6

About 3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide

3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide (PubChem CID 103507326) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
PubChem CID103507326
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
SMILESC=C(C)CNc1sc(C(=O)NC2CC2)c(N)c1C1CC1
InChIInChI=1S/C15H21N3OS/c1-8(2)7-17-15-11(9-3-4-9)12(16)13(20-15)14(19)18-10-5-6-10/h9-10,17H,1,3-7,16H2,2H3,(H,18,19)
InChIKeyGQZSZTDIHMVMMG-UHFFFAOYSA-N
XLogP3.09
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423879
3-amino-N,4-dicyclopropyl-5-(cyclopropylmethylamino)thiophene-2-carboxamide
CID 103424679
3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide
CID 103428671
3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide
CID 103423180
1-[3-amino-4-cyclopropyl-5-(prop-2-enylamino)thiophen-2-yl]ethanone
CID 103510024
3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510047
methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylprop-2-enylamino)thiophene-3-carboxylate
CID 103507353
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423779
1-[3-amino-4-cyclopropyl-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425616
1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone
CID 103526353
1-[3-amino-4-cyclopropyl-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423349
3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506429

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide (CID 103507326) is 3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide is C=C(C)CNc1sc(C(=O)NC2CC2)c(N)c1C1CC1.
What is the InChIKey of 3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide?
The InChIKey is GQZSZTDIHMVMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-8(2)7-17-15-11(9-3-4-9)12(16)13(20-15)14(19)18-10-5-6-10/h9-10,17H,1,3-7,16H2,2H3,(H,18,19).
What are the key properties of 3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide?
3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103507326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).