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

C16H17F2N3OS — CID 34883745

IUPAC4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
SMILESFC(F)Oc1ccc(-c2csc(NC3=NCCCCC3)n2)cc1
InChIInChI=1S/C16H17F2N3OS/c17-15(18)22-12-7-5-11(6-8-12)13-10-23-16(20-13)21-14-4-2-1-3-9-19-14/h5-8,10,15H,1-4,9H2,(H,19,20,21)
InChIKeyYRTOHYZZCDAKLL-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.80
Rot. Bonds4

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

4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine (PubChem CID 34883745) has the molecular formula C16H17F2N3OS and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
PubChem CID34883745
Molecular FormulaC16H17F2N3OS
Molecular Weight337.39 g/mol
Exact Mass337.11
IUPAC Name4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
SMILESFC(F)Oc1ccc(-c2csc(NC3=NCCCCC3)n2)cc1
InChIInChI=1S/C16H17F2N3OS/c17-15(18)22-12-7-5-11(6-8-12)13-10-23-16(20-13)21-14-4-2-1-3-9-19-14/h5-8,10,15H,1-4,9H2,(H,19,20,21)
InChIKeyYRTOHYZZCDAKLL-UHFFFAOYSA-N
XLogP4.80
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine (CID 34883745) is 4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine is FC(F)Oc1ccc(-c2csc(NC3=NCCCCC3)n2)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
The InChIKey is YRTOHYZZCDAKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c17-15(18)22-12-7-5-11(6-8-12)13-10-23-16(20-13)21-14-4-2-1-3-9-19-14/h5-8,10,15H,1-4,9H2,(H,19,20,21).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine has a molecular weight of 337.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 34883745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).