N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C14H16ClF3N2S — CID 61247260

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1
InChIInChI=1S/C14H16ClF3N2S/c1-8(2)6-9-7-21-13(19-9)20-12-10(14(16,17)18)4-3-5-11(12)15/h3-5,8-9H,6-7H2,1-2H3,(H,19,20)
InChIKeyMWJGYURGUZLBCO-UHFFFAOYSA-N
MW336.81 g/mol
LogP5.29
Rot. Bonds3

About N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61247260) has the molecular formula C14H16ClF3N2S and a molecular weight of 336.81 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61247260
Molecular FormulaC14H16ClF3N2S
Molecular Weight336.81 g/mol
Exact Mass336.07
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1
InChIInChI=1S/C14H16ClF3N2S/c1-8(2)6-9-7-21-13(19-9)20-12-10(14(16,17)18)4-3-5-11(12)15/h3-5,8-9H,6-7H2,1-2H3,(H,19,20)
InChIKeyMWJGYURGUZLBCO-UHFFFAOYSA-N
XLogP5.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.81
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61247260) is N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(Nc2c(Cl)cccc2C(F)(F)F)=N1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MWJGYURGUZLBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2S/c1-8(2)6-9-7-21-13(19-9)20-12-10(14(16,17)18)4-3-5-11(12)15/h3-5,8-9H,6-7H2,1-2H3,(H,19,20).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 336.81 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61247260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).