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

C12H22N4S — CID 79764518

IUPACN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1cnc(NN)s1
InChIInChI=1S/C12H22N4S/c1-9-5-3-4-6-11(9)16(2)8-10-7-14-12(15-13)17-10/h7,9,11H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyZOPMOSPCLDOQAO-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.44
Rot. Bonds4

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

N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 79764518) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID79764518
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1cnc(NN)s1
InChIInChI=1S/C12H22N4S/c1-9-5-3-4-6-11(9)16(2)8-10-7-14-12(15-13)17-10/h7,9,11H,3-6,8,13H2,1-2H3,(H,14,15)
InChIKeyZOPMOSPCLDOQAO-UHFFFAOYSA-N
XLogP2.44
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.44
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,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine (CID 79764518) is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)Cc1cnc(NN)s1.
What is the InChIKey of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is ZOPMOSPCLDOQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9-5-3-4-6-11(9)16(2)8-10-7-14-12(15-13)17-10/h7,9,11H,3-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.44, 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,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79764518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).