N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C12H16N2S — CID 2826648

IUPACN-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(C)c1NC1=NCC(C)S1
InChIInChI=1S/C12H16N2S/c1-8-5-4-6-9(2)11(8)14-12-13-7-10(3)15-12/h4-6,10H,7H2,1-3H3,(H,13,14)
InChIKeyGHMPYSLHIXHRGI-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.21
Rot. Bonds1

About N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2826648) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2826648
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(C)c1NC1=NCC(C)S1
InChIInChI=1S/C12H16N2S/c1-8-5-4-6-9(2)11(8)14-12-13-7-10(3)15-12/h4-6,10H,7H2,1-3H3,(H,13,14)
InChIKeyGHMPYSLHIXHRGI-UHFFFAOYSA-N
XLogP3.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 2826648) is N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1cccc(C)c1NC1=NCC(C)S1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GHMPYSLHIXHRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-8-5-4-6-9(2)11(8)14-12-13-7-10(3)15-12/h4-6,10H,7H2,1-3H3,(H,13,14).
What are the key properties of N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2826648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).