4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine

C12H12ClFN2S — CID 2726577

IUPAC4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2c(F)cccc2Cl)cs1
InChIInChI=1S/C12H12ClFN2S/c1-7(2)15-12-16-10(6-17-12)11-8(13)4-3-5-9(11)14/h3-7H,1-2H3,(H,15,16)
InChIKeyCBMYZIKAHHPAKU-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.42
Rot. Bonds3

About 4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine

4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 2726577) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID2726577
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2c(F)cccc2Cl)cs1
InChIInChI=1S/C12H12ClFN2S/c1-7(2)15-12-16-10(6-17-12)11-8(13)4-3-5-9(11)14/h3-7H,1-2H3,(H,15,16)
InChIKeyCBMYZIKAHHPAKU-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 2726577) is 4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1nc(-c2c(F)cccc2Cl)cs1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is CBMYZIKAHHPAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-7(2)15-12-16-10(6-17-12)11-8(13)4-3-5-9(11)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 270.76 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2726577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).