3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide

C14H21N3O2S — CID 103423732

IUPAC3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NC2CC2)c(OC(C)C)c1N
InChIInChI=1S/C14H21N3O2S/c1-4-7-16-13(18)12-10(15)11(19-8(2)3)14(20-12)17-9-5-6-9/h4,8-9,17H,1,5-7,15H2,2-3H3,(H,16,18)
InChIKeyLVKUSJOKGJUFEE-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.61
Rot. Bonds7

About 3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103423732) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103423732
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NC2CC2)c(OC(C)C)c1N
InChIInChI=1S/C14H21N3O2S/c1-4-7-16-13(18)12-10(15)11(19-8(2)3)14(20-12)17-9-5-6-9/h4,8-9,17H,1,5-7,15H2,2-3H3,(H,16,18)
InChIKeyLVKUSJOKGJUFEE-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-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424670
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423712
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxamide
CID 103510092
3-amino-N-cyclopropyl-5-(cyclopropylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103423672
3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103417496
3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103525562
3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103423047
3-amino-5-(cyclobutylamino)-4-methylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 103525965
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588
3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103427603
ethyl 3-amino-4-propan-2-yloxy-5-(prop-2-enylamino)thiophene-2-carboxylate
CID 103510106
3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103423277

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide (CID 103423732) is 3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(NC2CC2)c(OC(C)C)c1N.
What is the InChIKey of 3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is LVKUSJOKGJUFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-7-16-13(18)12-10(15)11(19-8(2)3)14(20-12)17-9-5-6-9/h4,8-9,17H,1,5-7,15H2,2-3H3,(H,16,18).
What are the key properties of 3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-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-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103423732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).