[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine

C14H19N3OS — CID 105212902

IUPAC[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine
SMILESCc1nc(CC(COc2ccccc2)NN)sc1C
InChIInChI=1S/C14H19N3OS/c1-10-11(2)19-14(16-10)8-12(17-15)9-18-13-6-4-3-5-7-13/h3-7,12,17H,8-9,15H2,1-2H3
InChIKeyQNWWQNHKKWASTG-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.21
Rot. Bonds6

About [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine

[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine (PubChem CID 105212902) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine
PubChem CID105212902
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine
SMILESCc1nc(CC(COc2ccccc2)NN)sc1C
InChIInChI=1S/C14H19N3OS/c1-10-11(2)19-14(16-10)8-12(17-15)9-18-13-6-4-3-5-7-13/h3-7,12,17H,8-9,15H2,1-2H3
InChIKeyQNWWQNHKKWASTG-UHFFFAOYSA-N
XLogP2.21
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.21
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

[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethyl]hydrazine
CID 105199172
[1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105264290
(4-methyl-1-phenoxypentan-2-yl)hydrazine
CID 105212878
(5-methyl-1-phenoxyhexan-2-yl)hydrazine
CID 105212879
[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 103170711
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-quinoxalin-2-ylethyl]hydrazine
CID 107357927
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929930
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 105326798
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide
CID 91956267
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 82066800

Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine?
The IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine (CID 105212902) is [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine.
What is the SMILES notation for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine?
The canonical SMILES for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine is Cc1nc(CC(COc2ccccc2)NN)sc1C.
What is the InChIKey of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine?
The InChIKey is QNWWQNHKKWASTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-11(2)19-14(16-10)8-12(17-15)9-18-13-6-4-3-5-7-13/h3-7,12,17H,8-9,15H2,1-2H3.
What are the key properties of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine?
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine has a molecular weight of 277.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine is sourced from PubChem (CID 105212902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).