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

C11H12Cl2N2S — CID 43439673

IUPACN-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)c(NC2=NCC(C)S2)c1Cl
InChIInChI=1S/C11H12Cl2N2S/c1-6-3-4-8(12)10(9(6)13)15-11-14-5-7(2)16-11/h3-4,7H,5H2,1-2H3,(H,14,15)
InChIKeyQFMJPCSSPMEXIU-UHFFFAOYSA-N
MW275.20 g/mol
LogP4.21
Rot. Bonds1

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

N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439673) has the molecular formula C11H12Cl2N2S and a molecular weight of 275.20 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439673
Molecular FormulaC11H12Cl2N2S
Molecular Weight275.20 g/mol
Exact Mass274.01
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)c(NC2=NCC(C)S2)c1Cl
InChIInChI=1S/C11H12Cl2N2S/c1-6-3-4-8(12)10(9(6)13)15-11-14-5-7(2)16-11/h3-4,7H,5H2,1-2H3,(H,14,15)
InChIKeyQFMJPCSSPMEXIU-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153718
N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284776
N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2826648
N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440055
N-(2,6-dichloro-3-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83186697
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 65499430
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
N-(2,6-dichloro-3-methylphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249715
N-(2,6-dichloro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183314
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107791746
5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 115564685
N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385642

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439673) is N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(Cl)c(NC2=NCC(C)S2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QFMJPCSSPMEXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2S/c1-6-3-4-8(12)10(9(6)13)15-11-14-5-7(2)16-11/h3-4,7H,5H2,1-2H3,(H,14,15).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 275.20 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).