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

C23H23N3S — CID 134126798

IUPAC4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C23H23N3S/c1-3-26(4-2)19-14-12-18(13-15-19)22-16-27-23(25-22)24-21-11-7-9-17-8-5-6-10-20(17)21/h5-16H,3-4H2,1-2H3,(H,24,25)
InChIKeyMZJFTNIXRYLGPD-UHFFFAOYSA-N
MW373.53 g/mol
LogP6.55
Rot. Bonds6

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

4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine (PubChem CID 134126798) has the molecular formula C23H23N3S and a molecular weight of 373.53 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
PubChem CID134126798
Molecular FormulaC23H23N3S
Molecular Weight373.53 g/mol
Exact Mass373.16
IUPAC Name4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C23H23N3S/c1-3-26(4-2)19-14-12-18(13-15-19)22-16-27-23(25-22)24-21-11-7-9-17-8-5-6-10-20(17)21/h5-16H,3-4H2,1-2H3,(H,24,25)
InChIKeyMZJFTNIXRYLGPD-UHFFFAOYSA-N
XLogP6.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.53
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(2-hydrazinyl-1,3-thiazol-4-yl)aniline
CID 7148397
1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 58910581
N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
CID 59429719
1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide
CID 2877699
4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 58910493
N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide
CID 163137065
2-[3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione;hydrobromide
CID 126478088
4-N,4-N-diethyl-2-methyl-1-N-[4-[4-(3-phenylimidazol-1-ium-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 58910537
1-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-[(2,6-dimethoxyphenyl)methyl]guanidine
CID 87381012
4-benzo[f]quinolin-3-yl-N,N-diethylaniline
CID 5063761
4-(4-bromophenyl)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 40816768
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine (CID 134126798) is 4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine is CCN(CC)c1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1.
What is the InChIKey of 4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The InChIKey is MZJFTNIXRYLGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3S/c1-3-26(4-2)19-14-12-18(13-15-19)22-16-27-23(25-22)24-21-11-7-9-17-8-5-6-10-20(17)21/h5-16H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine has a molecular weight of 373.53 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 134126798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).