[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine

C14H17N3O2S — CID 114031820

IUPAC[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
SMILESCc1ncc(C(NN)c2ccc3c(c2)OCCCO3)s1
InChIInChI=1S/C14H17N3O2S/c1-9-16-8-13(20-9)14(17-15)10-3-4-11-12(7-10)19-6-2-5-18-11/h3-4,7-8,14,17H,2,5-6,15H2,1H3
InChIKeyBUFFRWZNZLVBPT-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.17
Rot. Bonds3

About [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine

[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine (PubChem CID 114031820) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
PubChem CID114031820
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
SMILESCc1ncc(C(NN)c2ccc3c(c2)OCCCO3)s1
InChIInChI=1S/C14H17N3O2S/c1-9-16-8-13(20-9)14(17-15)10-3-4-11-12(7-10)19-6-2-5-18-11/h3-4,7-8,14,17H,2,5-6,15H2,1H3
InChIKeyBUFFRWZNZLVBPT-UHFFFAOYSA-N
XLogP2.17
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[(4,5-dibromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
CID 105302953
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 105302915
[[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 114031846
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105302944
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105143401
[(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
CID 105302932
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 105302894
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-methylthiophen-2-yl)methanamine
CID 43464089
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine
CID 105200833
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 103408542
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 79981059
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61280625

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine (CID 114031820) is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine is Cc1ncc(C(NN)c2ccc3c(c2)OCCCO3)s1.
What is the InChIKey of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine?
The InChIKey is BUFFRWZNZLVBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-16-8-13(20-9)14(17-15)10-3-4-11-12(7-10)19-6-2-5-18-11/h3-4,7-8,14,17H,2,5-6,15H2,1H3.
What are the key properties of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine?
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine has a molecular weight of 291.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 114031820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).