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

C11H14N2S — CID 3055293

IUPACN-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccccc1CNC1=NCCS1
InChIInChI=1S/C11H14N2S/c1-9-4-2-3-5-10(9)8-13-11-12-6-7-14-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyXKHYNSGLWAWLMO-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.19
Rot. Bonds2

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

N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3055293) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3055293
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccccc1CNC1=NCCS1
InChIInChI=1S/C11H14N2S/c1-9-4-2-3-5-10(9)8-13-11-12-6-7-14-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyXKHYNSGLWAWLMO-UHFFFAOYSA-N
XLogP2.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-N-((4-methylphenyl)methyl)-2-thiazolamine
CID 2737945
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2966629
(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine
CID 2404807
N-(2-chlorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2996926
4H-1,3-Thiazin-2-amine, 5,6-dihydro-N-(2-phenylethyl)-
CID 2363238
N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383596
N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276
5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2997387
N-benzyl-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 135439903
N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3856622
N-Benzyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2339337
Pseudourea, 1,3-dibenzyl-2-methyl-2-thio-, hydriodide
CID 203825

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 3055293) is N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccccc1CNC1=NCCS1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XKHYNSGLWAWLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-9-4-2-3-5-10(9)8-13-11-12-6-7-14-11/h2-5H,6-8H2,1H3,(H,12,13).
What are the key properties of N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 206.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3055293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).