N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H16ClFN2S — CID 61246231

IUPACN-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2ccc(F)cc2Cl)=N1
InChIInChI=1S/C13H16ClFN2S/c1-8(2)5-10-7-18-13(16-10)17-12-4-3-9(15)6-11(12)14/h3-4,6,8,10H,5,7H2,1-2H3,(H,16,17)
InChIKeyTYYXWJJJGPCDHY-UHFFFAOYSA-N
MW286.80 g/mol
LogP4.41
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61246231) has the molecular formula C13H16ClFN2S and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61246231
Molecular FormulaC13H16ClFN2S
Molecular Weight286.80 g/mol
Exact Mass286.07
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2ccc(F)cc2Cl)=N1
InChIInChI=1S/C13H16ClFN2S/c1-8(2)5-10-7-18-13(16-10)17-12-4-3-9(15)6-11(12)14/h3-4,6,8,10H,5,7H2,1-2H3,(H,16,17)
InChIKeyTYYXWJJJGPCDHY-UHFFFAOYSA-N
XLogP4.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61246231) is N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(Nc2ccc(F)cc2Cl)=N1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is TYYXWJJJGPCDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2S/c1-8(2)5-10-7-18-13(16-10)17-12-4-3-9(15)6-11(12)14/h3-4,6,8,10H,5,7H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 286.80 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61246231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).