5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine

C13H14F2N2OS — CID 116812196

IUPAC5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C13H14F2N2OS/c1-2-7-16-13-17-8-11(19-13)9-3-5-10(6-4-9)18-12(14)15/h3-6,8,12H,2,7H2,1H3,(H,16,17)
InChIKeyHENLLLAIXVUFOO-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.23
Rot. Bonds6

About 5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine

5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 116812196) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID116812196
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C13H14F2N2OS/c1-2-7-16-13-17-8-11(19-13)9-3-5-10(6-4-9)18-12(14)15/h3-6,8,12H,2,7H2,1H3,(H,16,17)
InChIKeyHENLLLAIXVUFOO-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine
CID 116812161
N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 116811972
5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812125
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine
CID 116812134
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133381734
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812124
4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883371
5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774581
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812191

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine (CID 116812196) is 5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is HENLLLAIXVUFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-2-7-16-13-17-8-11(19-13)9-3-5-10(6-4-9)18-12(14)15/h3-6,8,12H,2,7H2,1H3,(H,16,17).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine?
5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 284.33 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116812196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).