N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide

C10H14N4S — CID 173107987

IUPACN-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide
SMILESCN(C)c1ccc(C=NNNC=S)cc1
InChIInChI=1S/C10H14N4S/c1-14(2)10-5-3-9(4-6-10)7-11-13-12-8-15/h3-8,13H,1-2H3,(H,12,15)
InChIKeyNTYUFMGOSIBQEZ-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.14
Rot. Bonds5

About N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide

N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide (PubChem CID 173107987) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide
PubChem CID173107987
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide
SMILESCN(C)c1ccc(C=NNNC=S)cc1
InChIInChI=1S/C10H14N4S/c1-14(2)10-5-3-9(4-6-10)7-11-13-12-8-15/h3-8,13H,1-2H3,(H,12,15)
InChIKeyNTYUFMGOSIBQEZ-UHFFFAOYSA-N
XLogP1.14
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
methyl N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanimidothioate
CID 53444656
4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 7955579
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-ethylthiourea
CID 7728669
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 21238347
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
4-[(hexylhydrazinylidene)methyl]-N,N-dimethylaniline
CID 154982727
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
CID 102273448
CID 102273448

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide?
The IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide (CID 173107987) is N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide is CN(C)c1ccc(C=NNNC=S)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide?
The InChIKey is NTYUFMGOSIBQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-14(2)10-5-3-9(4-6-10)7-11-13-12-8-15/h3-8,13H,1-2H3,(H,12,15).
What are the key properties of N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide?
N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide has a molecular weight of 222.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]methanethioamide is sourced from PubChem (CID 173107987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).