N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H17FN2S — CID 61247548

IUPACN-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2ccc(F)cc2)=N1
InChIInChI=1S/C13H17FN2S/c1-9(2)7-12-8-17-13(16-12)15-11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)
InChIKeyTZLUNOJFDOAZOT-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.76
Rot. Bonds3

About N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61247548) has the molecular formula C13H17FN2S and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61247548
Molecular FormulaC13H17FN2S
Molecular Weight252.36 g/mol
Exact Mass252.11
IUPAC NameN-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2ccc(F)cc2)=N1
InChIInChI=1S/C13H17FN2S/c1-9(2)7-12-8-17-13(16-12)15-11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)
InChIKeyTZLUNOJFDOAZOT-UHFFFAOYSA-N
XLogP3.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61247548) is N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(Nc2ccc(F)cc2)=N1.
What is the InChIKey of N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is TZLUNOJFDOAZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2S/c1-9(2)7-12-8-17-13(16-12)15-11-5-3-10(14)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61247548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).