(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H15FN2S — CID 79247207

IUPAC(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(Nc2ccccc2F)=N1
InChIInChI=1S/C12H15FN2S/c1-8(2)11-7-16-12(15-11)14-10-6-4-3-5-9(10)13/h3-6,8,11H,7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyNFHIMYILGBDHGR-LLVKDONJSA-N
MW238.33 g/mol
LogP3.37
Rot. Bonds2

About (4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79247207) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is (4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79247207
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Name(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(Nc2ccccc2F)=N1
InChIInChI=1S/C12H15FN2S/c1-8(2)11-7-16-12(15-11)14-10-6-4-3-5-9(10)13/h3-6,8,11H,7H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyNFHIMYILGBDHGR-LLVKDONJSA-N
XLogP3.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 79247207) is (4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)[C@H]1CSC(Nc2ccccc2F)=N1.
What is the InChIKey of (4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NFHIMYILGBDHGR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15FN2S/c1-8(2)11-7-16-12(15-11)14-10-6-4-3-5-9(10)13/h3-6,8,11H,7H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79247207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).