1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine

C16H18F2N4OS — CID 2311698

IUPAC1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
SMILESFC(F)Oc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1
InChIInChI=1S/C16H18F2N4OS/c17-15(18)23-12-7-5-11(6-8-12)13-10-24-16(20-13)22-21-14-4-2-1-3-9-19-14/h5-8,10,15H,1-4,9H2,(H,19,21)(H,20,22)
InChIKeyZBJRPDOVVBMPKG-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.30
Rot. Bonds5

About 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine

1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine (PubChem CID 2311698) has the molecular formula C16H18F2N4OS and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine.

Molecular Properties

Compound Name1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
PubChem CID2311698
Molecular FormulaC16H18F2N4OS
Molecular Weight352.41 g/mol
Exact Mass352.12
IUPAC Name1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
SMILESFC(F)Oc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1
InChIInChI=1S/C16H18F2N4OS/c17-15(18)23-12-7-5-11(6-8-12)13-10-24-16(20-13)22-21-14-4-2-1-3-9-19-14/h5-8,10,15H,1-4,9H2,(H,19,21)(H,20,22)
InChIKeyZBJRPDOVVBMPKG-UHFFFAOYSA-N
XLogP4.30
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine 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

4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
CID 34883745
4-[4-(difluoromethoxy)phenyl]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-1,3-thiazol-2-amine
CID 135721587
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287667
4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine
CID 4969311
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523781
3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 19509508
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558257
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
CID 2441454
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414202
2-amino-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787149
4-(3-methoxyphenyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 123700525
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270926

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The IUPAC name of 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine (CID 2311698) is 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine.
What is the SMILES notation for 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The canonical SMILES for 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine is FC(F)Oc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1.
What is the InChIKey of 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
The InChIKey is ZBJRPDOVVBMPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4OS/c17-15(18)23-12-7-5-11(6-8-12)13-10-24-16(20-13)22-21-14-4-2-1-3-9-19-14/h5-8,10,15H,1-4,9H2,(H,19,21)(H,20,22).
What are the key properties of 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine?
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine has a molecular weight of 352.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine is sourced from PubChem (CID 2311698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).