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

C13H17FN2S — CID 61245945

IUPACN-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2cccc(F)c2)=N1
InChIInChI=1S/C13H17FN2S/c1-9(2)6-12-8-17-13(16-12)15-11-5-3-4-10(14)7-11/h3-5,7,9,12H,6,8H2,1-2H3,(H,15,16)
InChIKeyNGRPFPAEFATKJL-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.76
Rot. Bonds3

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

N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61245945) has the molecular formula C13H17FN2S and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61245945
Molecular FormulaC13H17FN2S
Molecular Weight252.36 g/mol
Exact Mass252.11
IUPAC NameN-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2cccc(F)c2)=N1
InChIInChI=1S/C13H17FN2S/c1-9(2)6-12-8-17-13(16-12)15-11-5-3-4-10(14)7-11/h3-5,7,9,12H,6,8H2,1-2H3,(H,15,16)
InChIKeyNGRPFPAEFATKJL-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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Related Compounds

N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61246080
N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247548
N-(3,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61245942
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61245801
4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61245797
N-(2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247555
N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 102854296
4-tert-butyl-N-(3-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351264
4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261096
N-(2-bromo-4-chlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 81274735
N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 81289937
(4S)-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79246569

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61245945) is N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(Nc2cccc(F)c2)=N1.
What is the InChIKey of N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NGRPFPAEFATKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2S/c1-9(2)6-12-8-17-13(16-12)15-11-5-3-4-10(14)7-11/h3-5,7,9,12H,6,8H2,1-2H3,(H,15,16).
What are the key properties of N-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-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-(3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61245945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).