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

C15H20Cl2N2S — CID 106284776

IUPACN-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2c(Cl)ccc(C)c2Cl)S1
InChIInChI=1S/C15H20Cl2N2S/c1-4-10(5-2)12-8-18-15(20-12)19-14-11(16)7-6-9(3)13(14)17/h6-7,10,12H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyXKFLIUWUBQNVAA-UHFFFAOYSA-N
MW331.31 g/mol
LogP5.62
Rot. Bonds4

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

N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106284776) 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-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106284776
Molecular FormulaC15H20Cl2N2S
Molecular Weight331.31 g/mol
Exact Mass330.07
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2c(Cl)ccc(C)c2Cl)S1
InChIInChI=1S/C15H20Cl2N2S/c1-4-10(5-2)12-8-18-15(20-12)19-14-11(16)7-6-9(3)13(14)17/h6-7,10,12H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyXKFLIUWUBQNVAA-UHFFFAOYSA-N
XLogP5.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106284776) is N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2c(Cl)ccc(C)c2Cl)S1.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XKFLIUWUBQNVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2S/c1-4-10(5-2)12-8-18-15(20-12)19-14-11(16)7-6-9(3)13(14)17/h6-7,10,12H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 331.31 g/mol, XLogP of 5.62, 4 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-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106284776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).