1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride

C12H16Cl2FN3OS — CID 134122825

IUPAC1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride
SMILESCC(C)Oc1cc(NNC2=NCCS2)c(F)cc1Cl.Cl
InChIInChI=1S/C12H15ClFN3OS.ClH/c1-7(2)18-11-6-10(9(14)5-8(11)13)16-17-12-15-3-4-19-12;/h5-7,16H,3-4H2,1-2H3,(H,15,17);1H
InChIKeyMXXBFDQYEWVGLF-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.71
Rot. Bonds4

About 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride

1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride (PubChem CID 134122825) has the molecular formula C12H16Cl2FN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride
PubChem CID134122825
Molecular FormulaC12H16Cl2FN3OS
Molecular Weight340.25 g/mol
Exact Mass339.04
IUPAC Name1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride
SMILESCC(C)Oc1cc(NNC2=NCCS2)c(F)cc1Cl.Cl
InChIInChI=1S/C12H15ClFN3OS.ClH/c1-7(2)18-11-6-10(9(14)5-8(11)13)16-17-12-15-3-4-19-12;/h5-7,16H,3-4H2,1-2H3,(H,15,17);1H
InChIKeyMXXBFDQYEWVGLF-UHFFFAOYSA-N
XLogP3.71
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)piperidin-1-ium-2-carboxamide chloride
CID 110188384
2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 47248031
N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068100
1-(2-methyl-1,3-dioxolan-2-yl)ethyl N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamate
CID 171985155
5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446
4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium
CID 11230465
1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene
CID 70136526
S-(4-hydroxypyrazolidin-1-yl) N-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamothioate
CID 19937161
chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine
CID 159749309
1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-3-(1-cyano-2,2-dimethylpropyl)urea
CID 110192966
1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-3-[(Z)-hex-2-en-3-yl]urea
CID 70421486

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride?
The IUPAC name of 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride (CID 134122825) is 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride.
What is the SMILES notation for 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride?
The canonical SMILES for 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride is CC(C)Oc1cc(NNC2=NCCS2)c(F)cc1Cl.Cl.
What is the InChIKey of 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride?
The InChIKey is MXXBFDQYEWVGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3OS.ClH/c1-7(2)18-11-6-10(9(14)5-8(11)13)16-17-12-15-3-4-19-12;/h5-7,16H,3-4H2,1-2H3,(H,15,17);1H.
What are the key properties of 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride?
1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride has a molecular weight of 340.25 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)hydrazine;hydrochloride is sourced from PubChem (CID 134122825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).