N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

C15H18F2N2OS — CID 105015291

IUPACN-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccccc1OC(F)F
InChIInChI=1S/C15H18F2N2OS/c1-2-7-18-12(10-14-19-8-9-21-14)11-5-3-4-6-13(11)20-15(16)17/h3-6,8-9,12,15,18H,2,7,10H2,1H3
InChIKeyRAILGRPJRRMYGQ-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.03
Rot. Bonds8

About N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 105015291) has the molecular formula C15H18F2N2OS and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID105015291
Molecular FormulaC15H18F2N2OS
Molecular Weight312.38 g/mol
Exact Mass312.11
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)c1ccccc1OC(F)F
InChIInChI=1S/C15H18F2N2OS/c1-2-7-18-12(10-14-19-8-9-21-14)11-5-3-4-6-13(11)20-15(16)17/h3-6,8-9,12,15,18H,2,7,10H2,1H3
InChIKeyRAILGRPJRRMYGQ-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257
N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169168
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
N-[1-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79823595
1-[2-(difluoromethoxy)phenyl]-N-propylbut-3-yn-1-amine
CID 114977832
N-[1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825037
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 80604477
N-[1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 81304178
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 80528847
N-[1-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015002
N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115847444

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 105015291) is N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is RAILGRPJRRMYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-2-7-18-12(10-14-19-8-9-21-14)11-5-3-4-6-13(11)20-15(16)17/h3-6,8-9,12,15,18H,2,7,10H2,1H3.
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 312.38 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105015291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).