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

C12H24N4S — CID 79765011

IUPACN,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCC(CC)CN(CC)Cc1cnc(NN)s1
InChIInChI=1S/C12H24N4S/c1-4-10(5-2)8-16(6-3)9-11-7-14-12(15-13)17-11/h7,10H,4-6,8-9,13H2,1-3H3,(H,14,15)
InChIKeyPWIUPBPKOKHZAV-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.69
Rot. Bonds8

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

N,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine (PubChem CID 79765011) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is N,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine
PubChem CID79765011
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC NameN,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCC(CC)CN(CC)Cc1cnc(NN)s1
InChIInChI=1S/C12H24N4S/c1-4-10(5-2)8-16(6-3)9-11-7-14-12(15-13)17-11/h7,10H,4-6,8-9,13H2,1-3H3,(H,14,15)
InChIKeyPWIUPBPKOKHZAV-UHFFFAOYSA-N
XLogP2.69
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.69
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-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The IUPAC name of N,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine (CID 79765011) is N,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine is CCC(CC)CN(CC)Cc1cnc(NN)s1.
What is the InChIKey of N,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The InChIKey is PWIUPBPKOKHZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-4-10(5-2)8-16(6-3)9-11-7-14-12(15-13)17-11/h7,10H,4-6,8-9,13H2,1-3H3,(H,14,15).
What are the key properties of N,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
N,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine has a molecular weight of 256.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 79765011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).