1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine

C28H32N4S — CID 58910581

IUPAC1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(-c2csc(Nc3ccc(N(c4ccccc4)C(C)C)cc3)n2)cc1
InChIInChI=1S/C28H32N4S/c1-5-31(6-2)24-16-12-22(13-17-24)27-20-33-28(30-27)29-23-14-18-26(19-15-23)32(21(3)4)25-10-8-7-9-11-25/h7-21H,5-6H2,1-4H3,(H,29,30)
InChIKeyATPILCZKNAFSJZ-UHFFFAOYSA-N
MW456.66 g/mol
LogP7.95
Rot. Bonds9

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

1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 58910581) has the molecular formula C28H32N4S and a molecular weight of 456.66 g/mol. Its IUPAC name is 1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
PubChem CID58910581
Molecular FormulaC28H32N4S
Molecular Weight456.66 g/mol
Exact Mass456.23
IUPAC Name1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(-c2csc(Nc3ccc(N(c4ccccc4)C(C)C)cc3)n2)cc1
InChIInChI=1S/C28H32N4S/c1-5-31(6-2)24-16-12-22(13-17-24)27-20-33-28(30-27)29-23-14-18-26(19-15-23)32(21(3)4)25-10-8-7-9-11-25/h7-21H,5-6H2,1-4H3,(H,29,30)
InChIKeyATPILCZKNAFSJZ-UHFFFAOYSA-N
XLogP7.95
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.66
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 58911003
1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide
CID 2877699
N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
CID 59429719
4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
CID 134126798
4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 58910493
N,N-diethyl-4-(2-hydrazinyl-1,3-thiazol-4-yl)aniline
CID 7148397
5-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-N-(4-propan-2-ylphenyl)-1,3-thiazole-2,4-diamine
CID 21357994
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-(4-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23889663

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine (CID 58910581) is 1-N-[4-[4-(diethylamino)phenyl]-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-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine is CCN(CC)c1ccc(-c2csc(Nc3ccc(N(c4ccccc4)C(C)C)cc3)n2)cc1.
What is the InChIKey of 1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is ATPILCZKNAFSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4S/c1-5-31(6-2)24-16-12-22(13-17-24)27-20-33-28(30-27)29-23-14-18-26(19-15-23)32(21(3)4)25-10-8-7-9-11-25/h7-21H,5-6H2,1-4H3,(H,29,30).
What are the key properties of 1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 456.66 g/mol, XLogP of 7.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 58910581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).