[3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine

C14H26N4S — CID 105240294

IUPAC[3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
SMILESCC(C)(C(Cc1cncs1)NN)N1CCCCCC1
InChIInChI=1S/C14H26N4S/c1-14(2,18-7-5-3-4-6-8-18)13(17-15)9-12-10-16-11-19-12/h10-11,13,17H,3-9,15H2,1-2H3
InChIKeyVHVCNKRSWJPBKL-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.17
Rot. Bonds5

About [3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine

[3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine (PubChem CID 105240294) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is [3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
PubChem CID105240294
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name[3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
SMILESCC(C)(C(Cc1cncs1)NN)N1CCCCCC1
InChIInChI=1S/C14H26N4S/c1-14(2,18-7-5-3-4-6-8-18)13(17-15)9-12-10-16-11-19-12/h10-11,13,17H,3-9,15H2,1-2H3
InChIKeyVHVCNKRSWJPBKL-UHFFFAOYSA-N
XLogP2.17
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.17
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

3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 112643281
(3-methyl-3-piperidin-1-yl-1-thiophen-2-ylbutan-2-yl)hydrazine
CID 105239963
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 112643288
[1-(furan-3-yl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239574
[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105240426
3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-one
CID 112642383
(1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-pyrrolidin-1-ylbutan-2-yl)hydrazine
CID 105239505
[1-(3,4-dimethylphenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239895
[1-(2-bromophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239989
[3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105239944
[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805

Frequently Asked Questions

What is the IUPAC name of [3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
The IUPAC name of [3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine (CID 105240294) is [3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
The canonical SMILES for [3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine is CC(C)(C(Cc1cncs1)NN)N1CCCCCC1.
What is the InChIKey of [3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
The InChIKey is VHVCNKRSWJPBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-14(2,18-7-5-3-4-6-8-18)13(17-15)9-12-10-16-11-19-12/h10-11,13,17H,3-9,15H2,1-2H3.
What are the key properties of [3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
[3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine has a molecular weight of 282.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepan-1-yl)-3-methyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105240294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).