5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine

C12H12ClFN2S — CID 62065198

IUPAC5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H12ClFN2S/c1-2-10-11(17-12(15)16-10)6-7-5-8(13)3-4-9(7)14/h3-5H,2,6H2,1H3,(H2,15,16)
InChIKeyRWMPPNSHGQJHKZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.67
Rot. Bonds3

About 5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine

5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 62065198) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID62065198
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H12ClFN2S/c1-2-10-11(17-12(15)16-10)6-7-5-8(13)3-4-9(7)14/h3-5H,2,6H2,1H3,(H2,15,16)
InChIKeyRWMPPNSHGQJHKZ-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (CID 62065198) is 5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is CCc1nc(N)sc1Cc1cc(Cl)ccc1F.
What is the InChIKey of 5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is RWMPPNSHGQJHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-2-10-11(17-12(15)16-10)6-7-5-8(13)3-4-9(7)14/h3-5H,2,6H2,1H3,(H2,15,16).
What are the key properties of 5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 270.76 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62065198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).