3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide

C14H21N3O2S — CID 103510092

IUPAC3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide
SMILESC=CCNc1sc(C(=O)NC2CC2)c(N)c1OC(C)C
InChIInChI=1S/C14H21N3O2S/c1-4-7-16-14-11(19-8(2)3)10(15)12(20-14)13(18)17-9-5-6-9/h4,8-9,16H,1,5-7,15H2,2-3H3,(H,17,18)
InChIKeyWQERZVNEYAPKDJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.61
Rot. Bonds7

About 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide

3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide (PubChem CID 103510092) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide
PubChem CID103510092
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide
SMILESC=CCNc1sc(C(=O)NC2CC2)c(N)c1OC(C)C
InChIInChI=1S/C14H21N3O2S/c1-4-7-16-14-11(19-8(2)3)10(15)12(20-14)13(18)17-9-5-6-9/h4,8-9,16H,1,5-7,15H2,2-3H3,(H,17,18)
InChIKeyWQERZVNEYAPKDJ-UHFFFAOYSA-N
XLogP2.61
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.61
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-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103423732
3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103423672
3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424670
ethyl 3-amino-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxylate
CID 103510106
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423712
3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510135
[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
CID 103423405
3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425826
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588
3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide
CID 103424225
1-[3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxythiophen-2-yl]-2-methylpropan-1-one
CID 103424685

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide (CID 103510092) is 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide is C=CCNc1sc(C(=O)NC2CC2)c(N)c1OC(C)C.
What is the InChIKey of 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide?
The InChIKey is WQERZVNEYAPKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-7-16-14-11(19-8(2)3)10(15)12(20-14)13(18)17-9-5-6-9/h4,8-9,16H,1,5-7,15H2,2-3H3,(H,17,18).
What are the key properties of 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide?
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103510092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).