N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine

C27H22N2S — CID 139985777

IUPACN-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine
SMILESC(=C(Nc1cccc2ccccc12)c1ccccc1)C1=NC(c2ccccc2)CS1
InChIInChI=1S/C27H22N2S/c1-3-11-21(12-4-1)25(28-24-17-9-15-20-10-7-8-16-23(20)24)18-27-29-26(19-30-27)22-13-5-2-6-14-22/h1-18,26,28H,19H2
InChIKeyNYJTXOXWFROJFG-UHFFFAOYSA-N
MW406.55 g/mol
LogP7.18
Rot. Bonds5

About N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine

N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine (PubChem CID 139985777) has the molecular formula C27H22N2S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine
PubChem CID139985777
Molecular FormulaC27H22N2S
Molecular Weight406.55 g/mol
Exact Mass406.15
IUPAC NameN-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine
SMILESC(=C(Nc1cccc2ccccc12)c1ccccc1)C1=NC(c2ccccc2)CS1
InChIInChI=1S/C27H22N2S/c1-3-11-21(12-4-1)25(28-24-17-9-15-20-10-7-8-16-23(20)24)18-27-29-26(19-30-27)22-13-5-2-6-14-22/h1-18,26,28H,19H2
InChIKeyNYJTXOXWFROJFG-UHFFFAOYSA-N
XLogP7.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-naphthalen-1-yl-2-phenylcyclobutane-1-carboxamide
CID 146488931
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea
CID 108884683
(3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 929511
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777
(1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 7375079
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
2-benzamido-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945302
N-naphthalen-1-yl-1,4-dithiane-2-carboxamide
CID 112762776

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine?
The IUPAC name of N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine (CID 139985777) is N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine.
What is the SMILES notation for N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine?
The canonical SMILES for N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine is C(=C(Nc1cccc2ccccc12)c1ccccc1)C1=NC(c2ccccc2)CS1.
What is the InChIKey of N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine?
The InChIKey is NYJTXOXWFROJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2S/c1-3-11-21(12-4-1)25(28-24-17-9-15-20-10-7-8-16-23(20)24)18-27-29-26(19-30-27)22-13-5-2-6-14-22/h1-18,26,28H,19H2.
What are the key properties of N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine?
N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine has a molecular weight of 406.55 g/mol, XLogP of 7.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)ethenyl]naphthalen-1-amine is sourced from PubChem (CID 139985777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).