(2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide

C16H16N4OS — CID 89330128

IUPAC(2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide
SMILESCNC(=O)/C(=N\NC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N4OS/c1-17-15(21)14(12-8-4-2-5-9-12)19-20-16(22)18-13-10-6-3-7-11-13/h2-11H,1H3,(H,17,21)(H2,18,20,22)/b19-14-
InChIKeyOMLCUSJMHLRGEH-RGEXLXHISA-N
MW312.40 g/mol
LogP2.12
Rot. Bonds4

About (2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide

(2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide (PubChem CID 89330128) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is (2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide
PubChem CID89330128
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name(2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide
SMILESCNC(=O)/C(=N\NC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N4OS/c1-17-15(21)14(12-8-4-2-5-9-12)19-20-16(22)18-13-10-6-3-7-11-13/h2-11H,1H3,(H,17,21)(H2,18,20,22)/b19-14-
InChIKeyOMLCUSJMHLRGEH-RGEXLXHISA-N
XLogP2.12
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.12
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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Related Compounds

(2Z)-N-methyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 15371306
methyl 4-[[[2-[(4-methoxycarbonylphenyl)carbamothioylhydrazinylidene]-2-(4-methoxyphenyl)-1-phenylethylidene]amino]carbamothioylamino]benzoate
CID 6832033
1-phenyl-3-[3-(phenylcarbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
CID 54406918
N-[4-[N-(methylcarbamothioylamino)-C-[C-phenyl-N-(propanethioylamino)carbonimidoyl]carbonimidoyl]phenyl]acetamide
CID 158365258
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589
1-[(Z)-[(2Z)-1,2-bis(furan-2-yl)-2-(phenylcarbamothioylhydrazinylidene)ethylidene]amino]-3-phenylthiourea
CID 15682850
1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea
CID 6391805
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
1-[(E)-1-cyanopropan-2-ylideneamino]-3-phenylthiourea
CID 15836297
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
1-phenyl-3-[(E)-[(2E)-2-(phenylcarbamothioylhydrazinylidene)pentan-3-ylidene]amino]thiourea
CID 14325233
1-[1-(4-tert-butylphenyl)ethylideneamino]-3-phenylthiourea
CID 4547560

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide?
The IUPAC name of (2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide (CID 89330128) is (2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide.
What is the SMILES notation for (2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide?
The canonical SMILES for (2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide is CNC(=O)/C(=N\NC(=S)Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide?
The InChIKey is OMLCUSJMHLRGEH-RGEXLXHISA-N. The full InChI is InChI=1S/C16H16N4OS/c1-17-15(21)14(12-8-4-2-5-9-12)19-20-16(22)18-13-10-6-3-7-11-13/h2-11H,1H3,(H,17,21)(H2,18,20,22)/b19-14-.
What are the key properties of (2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide?
(2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide has a molecular weight of 312.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-2-phenyl-2-(phenylcarbamothioylhydrazinylidene)acetamide is sourced from PubChem (CID 89330128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).