N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H13FN2S — CID 82678591

IUPACN-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(CNC2=NCCS2)c1F
InChIInChI=1S/C11H13FN2S/c1-8-3-2-4-9(10(8)12)7-14-11-13-5-6-15-11/h2-4H,5-7H2,1H3,(H,13,14)
InChIKeyKJKNKGBXFBSHTO-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.33
Rot. Bonds2

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

N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 82678591) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID82678591
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC NameN-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(CNC2=NCCS2)c1F
InChIInChI=1S/C11H13FN2S/c1-8-3-2-4-9(10(8)12)7-14-11-13-5-6-15-11/h2-4H,5-7H2,1H3,(H,13,14)
InChIKeyKJKNKGBXFBSHTO-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913703
N-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 12623045
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 112671215
N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913562
N-(naphthalen-1-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62368128
N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 62991990
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 4701980
N-[[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 139763051
N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 68627681
4-tert-butyl-2-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]-6-iodophenol
CID 12761834
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79237638
N-[(5-methylthiophen-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62058118

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 82678591) is N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cccc(CNC2=NCCS2)c1F.
What is the InChIKey of N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KJKNKGBXFBSHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-8-3-2-4-9(10(8)12)7-14-11-13-5-6-15-11/h2-4H,5-7H2,1H3,(H,13,14).
What are the key properties of N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 224.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 82678591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).