5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine

C12H12ClFN2S — CID 167489822

IUPAC5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1-c1ccc(Cl)cc1F
InChIInChI=1S/C12H12ClFN2S/c1-6(2)10-11(17-12(15)16-10)8-4-3-7(13)5-9(8)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyLPMIDMOPYHHHNJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.31
Rot. Bonds2

About 5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine

5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 167489822) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID167489822
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1-c1ccc(Cl)cc1F
InChIInChI=1S/C12H12ClFN2S/c1-6(2)10-11(17-12(15)16-10)8-4-3-7(13)5-9(8)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyLPMIDMOPYHHHNJ-UHFFFAOYSA-N
XLogP4.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 167489822) is 5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N)sc1-c1ccc(Cl)cc1F.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is LPMIDMOPYHHHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-6(2)10-11(17-12(15)16-10)8-4-3-7(13)5-9(8)14/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine?
5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 270.76 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 167489822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).