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

C13H17FN2S — CID 107153859

IUPACN-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2ccccc2F)S1
InChIInChI=1S/C13H17FN2S/c1-9(2)7-10-8-15-13(17-10)16-12-6-4-3-5-11(12)14/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyXDFYWGBIZIPIRJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.76
Rot. Bonds3

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

N-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153859) has the molecular formula C13H17FN2S and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153859
Molecular FormulaC13H17FN2S
Molecular Weight252.36 g/mol
Exact Mass252.11
IUPAC NameN-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2ccccc2F)S1
InChIInChI=1S/C13H17FN2S/c1-9(2)7-10-8-15-13(17-10)16-12-6-4-3-5-11(12)14/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyXDFYWGBIZIPIRJ-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-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153859) is N-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(Nc2ccccc2F)S1.
What is the InChIKey of N-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XDFYWGBIZIPIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2S/c1-9(2)7-10-8-15-13(17-10)16-12-6-4-3-5-11(12)14/h3-6,9-10H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-fluorophenyl)-5-(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-(2-fluorophenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).