N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine

C13H14ClFN2OS — CID 71511120

IUPACN-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine
SMILESFCCOc1ccc(CCNc2nccs2)cc1Cl
InChIInChI=1S/C13H14ClFN2OS/c14-11-9-10(1-2-12(11)18-7-4-15)3-5-16-13-17-6-8-19-13/h1-2,6,8-9H,3-5,7H2,(H,16,17)
InChIKeyPEPXUNFMQKNPJM-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.80
Rot. Bonds7

About N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine

N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine (PubChem CID 71511120) has the molecular formula C13H14ClFN2OS and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine
PubChem CID71511120
Molecular FormulaC13H14ClFN2OS
Molecular Weight300.79 g/mol
Exact Mass300.05
IUPAC NameN-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine
SMILESFCCOc1ccc(CCNc2nccs2)cc1Cl
InChIInChI=1S/C13H14ClFN2OS/c14-11-9-10(1-2-12(11)18-7-4-15)3-5-16-13-17-6-8-19-13/h1-2,6,8-9H,3-5,7H2,(H,16,17)
InChIKeyPEPXUNFMQKNPJM-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine (CID 71511120) is N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine is FCCOc1ccc(CCNc2nccs2)cc1Cl.
What is the InChIKey of N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is PEPXUNFMQKNPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2OS/c14-11-9-10(1-2-12(11)18-7-4-15)3-5-16-13-17-6-8-19-13/h1-2,6,8-9H,3-5,7H2,(H,16,17).
What are the key properties of N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine?
N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 300.79 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-4-(2-fluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 71511120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).