4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C17H17FN2S — CID 63261697

IUPAC4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(Cc3ccccc3)CS2)cc1F
InChIInChI=1S/C17H17FN2S/c1-12-7-8-14(10-16(12)18)19-17-20-15(11-21-17)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11H2,1H3,(H,19,20)
InChIKeyNMUKUJNBUXZLKO-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.26
Rot. Bonds3

About 4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63261697) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63261697
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC Name4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(Cc3ccccc3)CS2)cc1F
InChIInChI=1S/C17H17FN2S/c1-12-7-8-14(10-16(12)18)19-17-20-15(11-21-17)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11H2,1H3,(H,19,20)
InChIKeyNMUKUJNBUXZLKO-UHFFFAOYSA-N
XLogP4.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(3-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261096
4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261261
N-(4-fluoro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63184109
4-benzyl-N-tert-butyl-4,5-dihydro-1,3-thiazol-2-amine
CID 55169774
N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440032
4-benzyl-N-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261342
N-(3-fluoro-4-methylphenyl)-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113376366
N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183024
N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182970
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261269
4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261356
4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261612

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63261697) is 4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(NC2=NC(Cc3ccccc3)CS2)cc1F.
What is the InChIKey of 4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NMUKUJNBUXZLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-12-7-8-14(10-16(12)18)19-17-20-15(11-21-17)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11H2,1H3,(H,19,20).
What are the key properties of 4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 300.40 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63261697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).