N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine

C21H29F3N4OS — CID 144933296

IUPACN-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCCc1ccc(CC)c(SCc2c(N(C)N)cccc2C(F)(F)F)c1.CN(N)C=O
InChIInChI=1S/C19H23F3N2S.C2H6N2O/c1-4-13-9-10-14(5-2)18(11-13)25-12-15-16(19(20,21)22)7-6-8-17(15)24(3)23;1-4(3)2-5/h6-11H,4-5,12,23H2,1-3H3;2H,3H2,1H3
InChIKeyQYBOAEZUZVWDIR-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.38
Rot. Bonds7

About N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine

N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine (PubChem CID 144933296) has the molecular formula C21H29F3N4OS and a molecular weight of 442.55 g/mol. Its IUPAC name is N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine.

Molecular Properties

Compound NameN-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
PubChem CID144933296
Molecular FormulaC21H29F3N4OS
Molecular Weight442.55 g/mol
Exact Mass442.20
IUPAC NameN-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCCc1ccc(CC)c(SCc2c(N(C)N)cccc2C(F)(F)F)c1.CN(N)C=O
InChIInChI=1S/C19H23F3N2S.C2H6N2O/c1-4-13-9-10-14(5-2)18(11-13)25-12-15-16(19(20,21)22)7-6-8-17(15)24(3)23;1-4(3)2-5/h6-11H,4-5,12,23H2,1-3H3;2H,3H2,1H3
InChIKeyQYBOAEZUZVWDIR-UHFFFAOYSA-N
XLogP4.38
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-Benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide
CID 144838586
1,3-Diamino-1-ethyl-3-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]urea
CID 144933234
1,3-Diamino-1-[3-cyclopropyl-2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-3-methylurea
CID 144933240
1-Amino-3-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylurea
CID 144933260
N-amino-N-methylformamide;1-[2-[(2-chloro-5-ethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 144933309
N-amino-N-methylformamide;ethane;2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]-3-fluoro-N-methylaniline
CID 144933995
N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
CID 144934014
N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
CID 144934027
1,3-Diamino-1-methyl-3-[2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]urea;ethane
CID 144934030
1-Amino-3-[2-[(5-ethyl-2-methylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylurea
CID 144934036
N-[2-[2-[[5-chloro-2-(trifluoromethyl)phenyl]sulfanylmethyl]-3-cyclopropyl-N-methylanilino]hydrazinyl]-N-methylformamide
CID 144934060
N-amino-N-ethylformamide;1-[2-[(5-ethyl-2-fluorophenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 144934064

Frequently Asked Questions

What is the IUPAC name of N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The IUPAC name of N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine (CID 144933296) is N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine.
What is the SMILES notation for N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The canonical SMILES for N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine is CCc1ccc(CC)c(SCc2c(N(C)N)cccc2C(F)(F)F)c1.CN(N)C=O.
What is the InChIKey of N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
The InChIKey is QYBOAEZUZVWDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2S.C2H6N2O/c1-4-13-9-10-14(5-2)18(11-13)25-12-15-16(19(20,21)22)7-6-8-17(15)24(3)23;1-4(3)2-5/h6-11H,4-5,12,23H2,1-3H3;2H,3H2,1H3.
What are the key properties of N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine?
N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine has a molecular weight of 442.55 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methylformamide;1-[2-[(2,5-diethylphenyl)sulfanylmethyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine is sourced from PubChem (CID 144933296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).