N-(4-carbamothioylphenyl)acetamide

C9H10N2OS — CID 3000565

IUPACN-(4-carbamothioylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C9H10N2OS/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12)
InChIKeyFHGLVCBKNBRMJM-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.28
Rot. Bonds2

About N-(4-carbamothioylphenyl)acetamide

N-(4-carbamothioylphenyl)acetamide (PubChem CID 3000565) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)acetamide
PubChem CID3000565
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-(4-carbamothioylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C9H10N2OS/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12)
InChIKeyFHGLVCBKNBRMJM-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)acetamide?
The IUPAC name of N-(4-carbamothioylphenyl)acetamide (CID 3000565) is N-(4-carbamothioylphenyl)acetamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)acetamide?
The canonical SMILES for N-(4-carbamothioylphenyl)acetamide is CC(=O)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)acetamide?
The InChIKey is FHGLVCBKNBRMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12).
What are the key properties of N-(4-carbamothioylphenyl)acetamide?
N-(4-carbamothioylphenyl)acetamide has a molecular weight of 194.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)acetamide is sourced from PubChem (CID 3000565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).