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

C16H16N2S — CID 63183120

IUPACN-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(NC2=NC(c3ccccc3)CS2)c1
InChIInChI=1S/C16H16N2S/c1-12-6-5-9-14(10-12)17-16-18-15(11-19-16)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,17,18)
InChIKeyDXDFXVICDSUTRR-UHFFFAOYSA-N
MW268.39 g/mol
LogP4.25
Rot. Bonds2

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

N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63183120) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63183120
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC NameN-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(NC2=NC(c3ccccc3)CS2)c1
InChIInChI=1S/C16H16N2S/c1-12-6-5-9-14(10-12)17-16-18-15(11-19-16)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,17,18)
InChIKeyDXDFXVICDSUTRR-UHFFFAOYSA-N
XLogP4.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-5-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 79049823
N-(4-fluoro-3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63184109
N-(3-chloro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183024
N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182912
N-(3,5-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182910
N-(3-bromo-2-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637509
N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182970
4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 66349772
4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide
CID 63183072
N-(2,5-difluoro-4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 103586627
4-(2-methoxyethyl)-N-(3-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114210948
N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 102854291

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63183120) is N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1cccc(NC2=NC(c3ccccc3)CS2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DXDFXVICDSUTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-12-6-5-9-14(10-12)17-16-18-15(11-19-16)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,17,18).
What are the key properties of N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 268.39 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63183120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).