N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide

C12H15N3O2S2 — CID 80745942

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide
SMILESCCCN(C/C(N)=N/O)C(=O)c1cc2sccc2s1
InChIInChI=1S/C12H15N3O2S2/c1-2-4-15(7-11(13)14-17)12(16)10-6-9-8(19-10)3-5-18-9/h3,5-6,17H,2,4,7H2,1H3,(H2,13,14)
InChIKeyPLLBJEUFTFDJHS-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.56
Rot. Bonds5

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80745942) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide
PubChem CID80745942
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide
SMILESCCCN(C/C(N)=N/O)C(=O)c1cc2sccc2s1
InChIInChI=1S/C12H15N3O2S2/c1-2-4-15(7-11(13)14-17)12(16)10-6-9-8(19-10)3-5-18-9/h3,5-6,17H,2,4,7H2,1H3,(H2,13,14)
InChIKeyPLLBJEUFTFDJHS-UHFFFAOYSA-N
XLogP2.56
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78968119
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 80744655
2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733581
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,4-dihydroxy-N-propylbenzamide
CID 107728907
ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78916963
2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733670
N-(2-amino-2-hydroxyiminoethyl)-3,4-difluoro-N-propylbenzamide
CID 76927636
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide
CID 106863360
N-(2-amino-2-hydroxyiminoethyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 76945669
N-(2-amino-2-hydroxyiminoethyl)-2-chloro-4-fluoro-N-propylbenzamide
CID 76927767
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide
CID 76983799
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80740760

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide (CID 80745942) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide is CCCN(C/C(N)=N/O)C(=O)c1cc2sccc2s1.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is PLLBJEUFTFDJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-2-4-15(7-11(13)14-17)12(16)10-6-9-8(19-10)3-5-18-9/h3,5-6,17H,2,4,7H2,1H3,(H2,13,14).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80745942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).