N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide

C10H12N4OS — CID 2733749

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IUPACN-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=NNC(N)=S)cc1
InChIInChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)
InChIKeySRVJKTDHMYAMHA-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.81
Rot. Bonds3

About N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide

N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide (PubChem CID 2733749) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide
PubChem CID2733749
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=NNC(N)=S)cc1
InChIInChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)
InChIKeySRVJKTDHMYAMHA-UHFFFAOYSA-N
XLogP0.81
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide (CID 2733749) is N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide is CC(=O)Nc1ccc(C=NNC(N)=S)cc1.
What is the InChIKey of N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide?
The InChIKey is SRVJKTDHMYAMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16).
What are the key properties of N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide?
N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide has a molecular weight of 236.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 2733749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).