(Z)-2-(ethanethioylamino)but-2-enamide

C6H10N2OS — CID 163469641

IUPAC(Z)-2-(ethanethioylamino)but-2-enamide
SMILESC/C=C(\NC(C)=S)C(N)=O
InChIInChI=1S/C6H10N2OS/c1-3-5(6(7)9)8-4(2)10/h3H,1-2H3,(H2,7,9)(H,8,10)/b5-3-
InChIKeyBVMQXPJYAHQYPT-HYXAFXHYSA-N
MW158.23 g/mol
LogP0.31
Rot. Bonds2

About (Z)-2-(ethanethioylamino)but-2-enamide

(Z)-2-(ethanethioylamino)but-2-enamide (PubChem CID 163469641) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is (Z)-2-(ethanethioylamino)but-2-enamide.

Molecular Properties

Compound Name(Z)-2-(ethanethioylamino)but-2-enamide
PubChem CID163469641
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name(Z)-2-(ethanethioylamino)but-2-enamide
SMILESC/C=C(\NC(C)=S)C(N)=O
InChIInChI=1S/C6H10N2OS/c1-3-5(6(7)9)8-4(2)10/h3H,1-2H3,(H2,7,9)(H,8,10)/b5-3-
InChIKeyBVMQXPJYAHQYPT-HYXAFXHYSA-N
XLogP0.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropanoylamino)but-2-enamide
CID 57262918
N,N'-di(ethanethioyl)oxamide
CID 122628439
ethane;N-ethanethioylacetamide
CID 142038658
acetamide;ethanethioamide
CID 159993772
N-ethanethioyl-2-methylprop-2-enamide
CID 89169552
ethanethioamide;2-sulfanylideneacetamide
CID 87924059
2-iodobut-2-enamide
CID 174630742
acetic acid;ethanethiohydrazide
CID 91207605
(E)-N-carbamothioyl-3-hydroxybut-2-enamide
CID 54716596
(Z)-2-(2-butan-2-ylhydrazinyl)but-2-enamide
CID 126599345
N'-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]propanediamide
CID 143768623
carbamodithioic acid;N-hydroxyacetamide
CID 174762397

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(ethanethioylamino)but-2-enamide?
The IUPAC name of (Z)-2-(ethanethioylamino)but-2-enamide (CID 163469641) is (Z)-2-(ethanethioylamino)but-2-enamide.
What is the SMILES notation for (Z)-2-(ethanethioylamino)but-2-enamide?
The canonical SMILES for (Z)-2-(ethanethioylamino)but-2-enamide is C/C=C(\NC(C)=S)C(N)=O.
What is the InChIKey of (Z)-2-(ethanethioylamino)but-2-enamide?
The InChIKey is BVMQXPJYAHQYPT-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-3-5(6(7)9)8-4(2)10/h3H,1-2H3,(H2,7,9)(H,8,10)/b5-3-.
What are the key properties of (Z)-2-(ethanethioylamino)but-2-enamide?
(Z)-2-(ethanethioylamino)but-2-enamide has a molecular weight of 158.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(ethanethioylamino)but-2-enamide is sourced from PubChem (CID 163469641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).