3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide

C14H21N3OS — CID 103510047

IUPAC3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
SMILESC=CCNc1sc(C(=O)NCCC)c(N)c1C1CC1
InChIInChI=1S/C14H21N3OS/c1-3-7-16-13(18)12-11(15)10(9-5-6-9)14(19-12)17-8-4-2/h4,9,17H,2-3,5-8,15H2,1H3,(H,16,18)
InChIKeyUONLZNYYNMMODM-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.95
Rot. Bonds7

About 3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide

3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide (PubChem CID 103510047) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
PubChem CID103510047
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
SMILESC=CCNc1sc(C(=O)NCCC)c(N)c1C1CC1
InChIInChI=1S/C14H21N3OS/c1-3-7-16-13(18)12-11(15)10(9-5-6-9)14(19-12)17-8-4-2/h4,9,17H,2-3,5-8,15H2,1H3,(H,16,18)
InChIKeyUONLZNYYNMMODM-UHFFFAOYSA-N
XLogP2.95
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.95
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

1-[3-amino-4-cyclopropyl-5-(prop-2-enylamino)thiophen-2-yl]ethanone
CID 103510024
3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide
CID 103423180
3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510135
3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103423277
3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
CID 103507326
methyl 3-amino-4-cyclopropyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420077
3-amino-4-cyclopropyl-5-[2-(diethylamino)ethylamino]thiophene-2-carboxamide
CID 103424766
1-[3-amino-4-cyclopropyl-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423349
ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate
CID 103425371
3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423879
3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide
CID 103428671
3-amino-N,4-dicyclopropyl-5-(cyclopropylmethylamino)thiophene-2-carboxamide
CID 103424679

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide (CID 103510047) is 3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide is C=CCNc1sc(C(=O)NCCC)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide?
The InChIKey is UONLZNYYNMMODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-3-7-16-13(18)12-11(15)10(9-5-6-9)14(19-12)17-8-4-2/h4,9,17H,2-3,5-8,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103510047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).