(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide

C10H15N3O2S — CID 106014338

IUPAC(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide
SMILESCCc1ccc(CNC(=O)C/C(N)=N/O)s1
InChIInChI=1S/C10H15N3O2S/c1-2-7-3-4-8(16-7)6-12-10(14)5-9(11)13-15/h3-4,15H,2,5-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyCQDAAJRMPGIEMY-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.06
Rot. Bonds5

About (3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide

(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide (PubChem CID 106014338) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide
PubChem CID106014338
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide
SMILESCCc1ccc(CNC(=O)C/C(N)=N/O)s1
InChIInChI=1S/C10H15N3O2S/c1-2-7-3-4-8(16-7)6-12-10(14)5-9(11)13-15/h3-4,15H,2,5-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyCQDAAJRMPGIEMY-UHFFFAOYSA-N
XLogP1.06
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze (3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(2-ethylphenyl)methyl]-3-hydroxyiminopropanamide
CID 77052028
(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 109374476
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 106003719
N-[(5-ethylthiophen-2-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 106011884
N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide
CID 76952712
(2R)-2-(carbamoylamino)-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 94106356
N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide
CID 111957001
(3E)-3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyiminopropanamide
CID 106041277
N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 103825949
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide (CID 106014338) is (3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide is CCc1ccc(CNC(=O)C/C(N)=N/O)s1.
What is the InChIKey of (3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide?
The InChIKey is CQDAAJRMPGIEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-7-3-4-8(16-7)6-12-10(14)5-9(11)13-15/h3-4,15H,2,5-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of (3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide has a molecular weight of 241.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide is sourced from PubChem (CID 106014338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).