4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine

C11H10ClFN2S — CID 82089063

IUPAC4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCc2c(F)cccc2Cl)cs1
InChIInChI=1S/C11H10ClFN2S/c12-9-2-1-3-10(13)8(9)5-4-7-6-16-11(14)15-7/h1-3,6H,4-5H2,(H2,14,15)
InChIKeyCVWNBUXQVHWOBX-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.30
Rot. Bonds3

About 4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine

4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 82089063) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID82089063
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCc2c(F)cccc2Cl)cs1
InChIInChI=1S/C11H10ClFN2S/c12-9-2-1-3-10(13)8(9)5-4-7-6-16-11(14)15-7/h1-3,6H,4-5H2,(H2,14,15)
InChIKeyCVWNBUXQVHWOBX-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1,3-thiazol-2-amine
CID 28856570
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine
CID 96669371
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-chlorophenyl)methanesulfonamide
CID 110717938
3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
CID 80530346
4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine
CID 82473163
4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485252
1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene
CID 24722124
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
CID 112683812
2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 51258049

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine (CID 82089063) is 4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine is Nc1nc(CCc2c(F)cccc2Cl)cs1.
What is the InChIKey of 4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is CVWNBUXQVHWOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-9-2-1-3-10(13)8(9)5-4-7-6-16-11(14)15-7/h1-3,6H,4-5H2,(H2,14,15).
What are the key properties of 4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 256.73 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-fluorophenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82089063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).