N-carbamothioyl-N-prop-2-enylpropanamide

C7H12N2OS — CID 126659975

IUPACN-carbamothioyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CC)C(N)=S
InChIInChI=1S/C7H12N2OS/c1-3-5-9(7(8)11)6(10)4-2/h3H,1,4-5H2,2H3,(H2,8,11)
InChIKeyUOLOXNQTOUJLHP-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.65
Rot. Bonds3

About N-carbamothioyl-N-prop-2-enylpropanamide

N-carbamothioyl-N-prop-2-enylpropanamide (PubChem CID 126659975) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is N-carbamothioyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-carbamothioyl-N-prop-2-enylpropanamide
PubChem CID126659975
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC NameN-carbamothioyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CC)C(N)=S
InChIInChI=1S/C7H12N2OS/c1-3-5-9(7(8)11)6(10)4-2/h3H,1,4-5H2,2H3,(H2,8,11)
InChIKeyUOLOXNQTOUJLHP-UHFFFAOYSA-N
XLogP0.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-carbamothioyl-N-prop-2-enylpropanamide 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

ethyl N-propanoyl-N-prop-2-enylcarbamate
CID 19738530
N-methyl-N',N'-bis(prop-2-enyl)propanehydrazide
CID 19835655
1-prop-2-enyl-1-sulfanylthiourea
CID 88798839
but-1-ene;urea
CID 87757370
N-prop-2-enoyl-N-propylpropanamide
CID 143653418
1-heptyl-1-prop-2-enylthiourea
CID 20555248
ethyl 2-[bis(prop-2-enyl)carbamothioylsulfanyl]acetate
CID 50941724
ethyl N-fluoro-N-prop-2-enylcarbamate
CID 88867877
1-ethyl-1,3-dimethyl-3-prop-2-enylurea
CID 116657053
2-[methyl(prop-2-enyl)amino]acetamide
CID 55207696
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-N-prop-2-enylpropanamide?
The IUPAC name of N-carbamothioyl-N-prop-2-enylpropanamide (CID 126659975) is N-carbamothioyl-N-prop-2-enylpropanamide.
What is the SMILES notation for N-carbamothioyl-N-prop-2-enylpropanamide?
The canonical SMILES for N-carbamothioyl-N-prop-2-enylpropanamide is C=CCN(C(=O)CC)C(N)=S.
What is the InChIKey of N-carbamothioyl-N-prop-2-enylpropanamide?
The InChIKey is UOLOXNQTOUJLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-5-9(7(8)11)6(10)4-2/h3H,1,4-5H2,2H3,(H2,8,11).
What are the key properties of N-carbamothioyl-N-prop-2-enylpropanamide?
N-carbamothioyl-N-prop-2-enylpropanamide has a molecular weight of 172.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 126659975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).