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

C15H20Cl2N2S — CID 107153718

IUPACN-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)c(NC2=NCC(CC(C)(C)C)S2)c1Cl
InChIInChI=1S/C15H20Cl2N2S/c1-9-5-6-11(16)13(12(9)17)19-14-18-8-10(20-14)7-15(2,3)4/h5-6,10H,7-8H2,1-4H3,(H,18,19)
InChIKeyVYGQFSKEKCOPOH-UHFFFAOYSA-N
MW331.31 g/mol
LogP5.62
Rot. Bonds2

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

N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153718) has the molecular formula C15H20Cl2N2S and a molecular weight of 331.31 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153718
Molecular FormulaC15H20Cl2N2S
Molecular Weight331.31 g/mol
Exact Mass330.07
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)c(NC2=NCC(CC(C)(C)C)S2)c1Cl
InChIInChI=1S/C15H20Cl2N2S/c1-9-5-6-11(16)13(12(9)17)19-14-18-8-10(20-14)7-15(2,3)4/h5-6,10H,7-8H2,1-4H3,(H,18,19)
InChIKeyVYGQFSKEKCOPOH-UHFFFAOYSA-N
XLogP5.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.31
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439673
N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284776
N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154351
N-(2,6-dibromophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107601423
N-(2-bromo-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154621
N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153826
N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154643
N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153761
N-(3,4-dimethoxyphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153777
5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154847
5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154151
5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154426

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153718) is N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(Cl)c(NC2=NCC(CC(C)(C)C)S2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VYGQFSKEKCOPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2S/c1-9-5-6-11(16)13(12(9)17)19-14-18-8-10(20-14)7-15(2,3)4/h5-6,10H,7-8H2,1-4H3,(H,18,19).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,6-dichloro-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 331.31 g/mol, XLogP of 5.62, 2 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-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).