[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine

C13H16ClN3O2S — CID 105204563

IUPAC[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
SMILESCOc1cc(C(Cc2cncs2)NN)cc(Cl)c1OC
InChIInChI=1S/C13H16ClN3O2S/c1-18-12-4-8(3-10(14)13(12)19-2)11(17-15)5-9-6-16-7-20-9/h3-4,6-7,11,17H,5,15H2,1-2H3
InChIKeyNRPJFCDTKBWWRN-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.56
Rot. Bonds6

About [1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine

[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine (PubChem CID 105204563) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is [1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
PubChem CID105204563
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
SMILESCOc1cc(C(Cc2cncs2)NN)cc(Cl)c1OC
InChIInChI=1S/C13H16ClN3O2S/c1-18-12-4-8(3-10(14)13(12)19-2)11(17-15)5-9-6-16-7-20-9/h3-4,6-7,11,17H,5,15H2,1-2H3
InChIKeyNRPJFCDTKBWWRN-UHFFFAOYSA-N
XLogP2.56
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.56
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

[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine
CID 105204619
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
[1-(4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105190796
1-(3-chloro-4,5-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732289
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535
[2-(1,3-thiazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208069
[1-(3-chloro-4,5-dimethoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105204631
2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol
CID 62608419
[1-(3-chloro-4,5-dimethoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105204575
[1-(4-iodophenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105332133
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
[(3-chloro-4,5-dimethoxyphenyl)-pyridin-3-ylmethyl]hydrazine
CID 105204624

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine (CID 105204563) is [1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine is COc1cc(C(Cc2cncs2)NN)cc(Cl)c1OC.
What is the InChIKey of [1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine?
The InChIKey is NRPJFCDTKBWWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-18-12-4-8(3-10(14)13(12)19-2)11(17-15)5-9-6-16-7-20-9/h3-4,6-7,11,17H,5,15H2,1-2H3.
What are the key properties of [1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine?
[1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine has a molecular weight of 313.81 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105204563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).