[5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine

C13H24N4S — CID 79764401

IUPAC[5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCC(C)C1CCCN(Cc2cnc(NN)s2)CC1
InChIInChI=1S/C13H24N4S/c1-10(2)11-4-3-6-17(7-5-11)9-12-8-15-13(16-14)18-12/h8,10-11H,3-7,9,14H2,1-2H3,(H,15,16)
InChIKeyUPWDXXNRPBMBID-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.69
Rot. Bonds4

About [5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764401) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is [5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79764401
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name[5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESCC(C)C1CCCN(Cc2cnc(NN)s2)CC1
InChIInChI=1S/C13H24N4S/c1-10(2)11-4-3-6-17(7-5-11)9-12-8-15-13(16-14)18-12/h8,10-11H,3-7,9,14H2,1-2H3,(H,15,16)
InChIKeyUPWDXXNRPBMBID-UHFFFAOYSA-N
XLogP2.69
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
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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Related Compounds

5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79772633
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
[5-[(3,4-dimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764530
1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol
CID 106837645
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106673960
[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
CID 104968911
[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764382
[5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103502422
[5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765681
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80608247
N-[[5-[(4-propan-2-ylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556991

Frequently Asked Questions

What is the IUPAC name of [5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79764401) is [5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine is CC(C)C1CCCN(Cc2cnc(NN)s2)CC1.
What is the InChIKey of [5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is UPWDXXNRPBMBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-10(2)11-4-3-6-17(7-5-11)9-12-8-15-13(16-14)18-12/h8,10-11H,3-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of [5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 268.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).