N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine

C19H19Cl2N3S — CID 59429719

IUPACN-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C19H19Cl2N3S/c1-3-24(4-2)17-7-5-13(6-8-17)18-12-25-19(23-18)22-16-10-14(20)9-15(21)11-16/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyQLNMGZIGIOOQHU-UHFFFAOYSA-N
MW392.36 g/mol
LogP6.71
Rot. Bonds6

About N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine

N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine (PubChem CID 59429719) has the molecular formula C19H19Cl2N3S and a molecular weight of 392.36 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
PubChem CID59429719
Molecular FormulaC19H19Cl2N3S
Molecular Weight392.36 g/mol
Exact Mass391.07
IUPAC NameN-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C19H19Cl2N3S/c1-3-24(4-2)17-7-5-13(6-8-17)18-12-25-19(23-18)22-16-10-14(20)9-15(21)11-16/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyQLNMGZIGIOOQHU-UHFFFAOYSA-N
XLogP6.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.36
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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,N-diethyl-4-(2-hydrazinyl-1,3-thiazol-4-yl)aniline
CID 7148397
N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 18507812
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-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
CID 134126798
N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 166340336
N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 166184350
4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 82179811
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 118708822
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 163342619

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine (CID 59429719) is N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine is CCN(CC)c1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine?
The InChIKey is QLNMGZIGIOOQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3S/c1-3-24(4-2)17-7-5-13(6-8-17)18-12-25-19(23-18)22-16-10-14(20)9-15(21)11-16/h5-12H,3-4H2,1-2H3,(H,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine?
N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine has a molecular weight of 392.36 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59429719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).