N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline

C12H16N4S — CID 79764122

IUPACN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2cnc(NN)s2)c1
InChIInChI=1S/C12H16N4S/c1-9-4-3-5-10(6-9)16(2)8-11-7-14-12(15-13)17-11/h3-7H,8,13H2,1-2H3,(H,14,15)
InChIKeyKFRUKGSBAVHBTI-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.37
Rot. Bonds4

About N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline

N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline (PubChem CID 79764122) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline
PubChem CID79764122
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2cnc(NN)s2)c1
InChIInChI=1S/C12H16N4S/c1-9-4-3-5-10(6-9)16(2)8-11-7-14-12(15-13)17-11/h3-7H,8,13H2,1-2H3,(H,14,15)
InChIKeyKFRUKGSBAVHBTI-UHFFFAOYSA-N
XLogP2.37
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline?
The IUPAC name of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline (CID 79764122) is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline?
The canonical SMILES for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline is Cc1cccc(N(C)Cc2cnc(NN)s2)c1.
What is the InChIKey of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline?
The InChIKey is KFRUKGSBAVHBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-4-3-5-10(6-9)16(2)8-11-7-14-12(15-13)17-11/h3-7H,8,13H2,1-2H3,(H,14,15).
What are the key properties of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline?
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline has a molecular weight of 248.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline is sourced from PubChem (CID 79764122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).