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

C18H20N2S — CID 62304214

IUPAC5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(NC1=NCC(c2ccccc2)S1)c1ccccc1
InChIInChI=1S/C18H20N2S/c1-2-16(14-9-5-3-6-10-14)20-18-19-13-17(21-18)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3,(H,19,20)
InChIKeyXNSUTTKYVOWWMU-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.57
Rot. Bonds4

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

5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 62304214) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID62304214
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(NC1=NCC(c2ccccc2)S1)c1ccccc1
InChIInChI=1S/C18H20N2S/c1-2-16(14-9-5-3-6-10-14)20-18-19-13-17(21-18)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3,(H,19,20)
InChIKeyXNSUTTKYVOWWMU-UHFFFAOYSA-N
XLogP4.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439586
5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61477908
N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 64687827
N-(1-ethylpyrazol-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43543944
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 62993062
1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61285407
3-N-(1-phenylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 66276469
N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 46879738
N-(2-bromo-5-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275070
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
(1S)-N-iodo-1-phenylpropan-1-amine
CID 87207146
3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 62304214) is 5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC(NC1=NCC(c2ccccc2)S1)c1ccccc1.
What is the InChIKey of 5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XNSUTTKYVOWWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-2-16(14-9-5-3-6-10-14)20-18-19-13-17(21-18)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3,(H,19,20).
What are the key properties of 5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 296.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 62304214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).