1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine

C28H25N3S — CID 58911003

IUPAC1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)N(c1ccccc1)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C28H25N3S/c1-20(2)31(25-10-4-3-5-11-25)26-16-14-24(15-17-26)29-28-30-27(19-32-28)23-13-12-21-8-6-7-9-22(21)18-23/h3-20H,1-2H3,(H,29,30)
InChIKeyMUFMOWQSONBRRJ-UHFFFAOYSA-N
MW435.60 g/mol
LogP8.25
Rot. Bonds6

About 1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine

1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 58911003) has the molecular formula C28H25N3S and a molecular weight of 435.60 g/mol. Its IUPAC name is 1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
PubChem CID58911003
Molecular FormulaC28H25N3S
Molecular Weight435.60 g/mol
Exact Mass435.18
IUPAC Name1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)N(c1ccccc1)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C28H25N3S/c1-20(2)31(25-10-4-3-5-11-25)26-16-14-24(15-17-26)29-28-30-27(19-32-28)23-13-12-21-8-6-7-9-22(21)18-23/h3-20H,1-2H3,(H,29,30)
InChIKeyMUFMOWQSONBRRJ-UHFFFAOYSA-N
XLogP8.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.60
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 58910581
4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 5062671
N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 108774081
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396
4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58911073
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 5234678
4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine (CID 58911003) is 1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine is CC(C)N(c1ccccc1)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1.
What is the InChIKey of 1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is MUFMOWQSONBRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3S/c1-20(2)31(25-10-4-3-5-11-25)26-16-14-24(15-17-26)29-28-30-27(19-32-28)23-13-12-21-8-6-7-9-22(21)18-23/h3-20H,1-2H3,(H,29,30).
What are the key properties of 1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 435.60 g/mol, XLogP of 8.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 58911003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).