N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C16H15ClN2S — CID 63183024

IUPACN-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(c3ccccc3)CS2)cc1Cl
InChIInChI=1S/C16H15ClN2S/c1-11-7-8-13(9-14(11)17)18-16-19-15(10-20-16)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyBVEFKLLXWHCWAB-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.90
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63183024) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63183024
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC NameN-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NC(c3ccccc3)CS2)cc1Cl
InChIInChI=1S/C16H15ClN2S/c1-11-7-8-13(9-14(11)17)18-16-19-15(10-20-16)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyBVEFKLLXWHCWAB-UHFFFAOYSA-N
XLogP4.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63183024) is N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(NC2=NC(c3ccccc3)CS2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BVEFKLLXWHCWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-11-7-8-13(9-14(11)17)18-16-19-15(10-20-16)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 302.83 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63183024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).